CAS 57707-20-7 | N-Cyclohexyl 4-chlorobenzamide | CAS Number 57707-20-7

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57707-20-7 | N-Cyclohexyl 4-chlorobenzamide

CAS No: 57707-20-7 Catalog No: AG003SWX MDL No:MFCD00029412

Product Description

Catalog Number:

AG003SWX

Chemical Name:

N-Cyclohexyl 4-chlorobenzamide

CAS Number:

57707-20-7

Molecular Formula:

C13H16ClNO

Molecular Weight:

237.7252

MDL Number:

MFCD00029412

IUPAC Name:

4-chloro-N-cyclohexylbenzamide

InChI:

InChI=1S/C13H16ClNO/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,15,16)

InChI Key:

KSXFAESIEUQWLY-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(cc1)Cl)NC1CCCCC1

NSC Number:

14855

Properties

Complexity:

230

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.092g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.727g/mol

Monoisotopic Mass:

237.092g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
4-Chloro-N-cyclo-hexyl-benzamide.	Acta crystallographica. Section E, Structure reports online 20090701