CAS 1199-98-0 | Benzenebutanamide | CAS Number 1199-98-0

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1199-98-0 | Benzenebutanamide

CAS No: 1199-98-0 Catalog No: AG000PUE MDL No:

Product Description

Catalog Number:

AG000PUE

Chemical Name:

Benzenebutanamide

CAS Number:

1199-98-0

Molecular Formula:

C10H13NO

Molecular Weight:

163.2163

IUPAC Name:

4-phenylbutanamide

InChI:

InChI=1S/C10H13NO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)

InChI Key:

LEPWUMPXISBPIB-UHFFFAOYSA-N

SMILES:

NC(=O)CCCc1ccccc1

NSC Number:

97770

Properties

Complexity:

139

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

163.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.22g/mol

Monoisotopic Mass:

163.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Discovery of N-arylalkyl-3-hydroxy-4-oxo-3,4-dihydroquinazolin-2-carboxamide derivatives as HCV NS5B polymerase inhibitors.	ChemMedChem 20120501
Examination of acylated 4-aminopiperidine-4-carboxylic acid residues in the phosphotyrosyl+1 position of Grb2 SH2 domain-binding tripeptides.	Journal of medicinal chemistry 20070419