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114995-53-8 | Propanamide, N-[4-chloro-2-(3-pyridinylcarbonyl)phenyl]-2,2-dimethyl-
CAS No: 114995-53-8 Catalog No: AG000FJ3 MDL No:
Product Description
Catalog Number:
AG000FJ3
Chemical Name:
Propanamide, N-[4-chloro-2-(3-pyridinylcarbonyl)phenyl]-2,2-dimethyl-
CAS Number:
114995-53-8
Molecular Formula:
C17H17ClN2O2
Molecular Weight:
316.7821
IUPAC Name:
N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-2,2-dimethylpropanamide
InChI:
InChI=1S/C17H17ClN2O2/c1-17(2,3)16(22)20-14-7-6-12(18)9-13(14)15(21)11-5-4-8-19-10-11/h4-10H,1-3H3,(H,20,22)
InChI Key:
WJELVNYAWTXMLN-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)c1cccnc1)NC(=O)C(C)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.785g/mol
Monoisotopic Mass:
316.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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