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70952-21-5 | Benzamide, N-[1-[(butylamino)carbonyl]-2-phenylethenyl]-4-chloro-
CAS No: 70952-21-5 Catalog No: AG005FKI MDL No:
Product Description
Catalog Number:
AG005FKI
Chemical Name:
Benzamide, N-[1-[(butylamino)carbonyl]-2-phenylethenyl]-4-chloro-
CAS Number:
70952-21-5
Molecular Formula:
C20H21ClN2O2
Molecular Weight:
356.8459
IUPAC Name:
N-[3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-chlorobenzamide
InChI:
InChI=1S/C20H21ClN2O2/c1-2-3-13-22-20(25)18(14-15-7-5-4-6-8-15)23-19(24)16-9-11-17(21)12-10-16/h4-12,14H,2-3,13H2,1H3,(H,22,25)(H,23,24)
InChI Key:
WZNHJGHBGGJVOH-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)C(=Cc1ccccc1)NC(=O)c1ccc(cc1)Cl
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.129g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.85g/mol
Monoisotopic Mass:
356.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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