2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide

CAS: 65836-72-8

Formula: C11H14ClNO3

SMILES: COC1=C(OC)C=C(CNC(=O)CCl)C=C1

IUPAC: 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide

InChI: InChI=1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)

Composition: C (54.22%), H (5.79%), Cl (14.55%), N (5.75%), O (19.70%)

Molar Mass: 243.69

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.066221
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CETPWRGZGWGPSV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.65
Topological Polar Surface Area	47.56
Polarizability	23.97
Ring Count	1
Rotatable Bond Count	5

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