N-[(4-chlorophenyl)methyl]-3-oxobutanamide

N-[(4-chlorophenyl)methyl]-3-oxobutanamide

CAS: 78984-83-5

Formula: C11H12ClNO2

SMILES: CC(=O)CC(=O)NCC1=CC=C(Cl)C=C1

IUPAC: N-[(4-chlorophenyl)methyl]-3-oxobutanamide

InChI: InChI=1S/C11H12ClNO2/c1-8(14)6-11(15)13-7-9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3,(H,13,15)

Composition: C (58.55%), H (5.36%), Cl (15.71%), N (6.21%), O (14.18%)

Molar Mass: 225.67

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.0556563
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LWNOHVIQOGIHFD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.68
Topological Polar Surface Area	46.17
Polarizability	22.7
Ring Count	1
Rotatable Bond Count	4

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