2-chloro-N-(3,4-dimethoxyphenyl)-N-propylacetamide

2-chloro-N-(3,4-dimethoxyphenyl)-N-propylacetamide

CAS: 1397198-95-6

Formula: C13H18ClNO3

SMILES: CCCN(C(=O)CCl)C1=CC(OC)=C(OC)C=C1

IUPAC: 2-chloro-N-(3,4-dimethoxyphenyl)-N-propylacetamide

InChI: InChI=1S/C13H18ClNO3/c1-4-7-15(13(16)9-14)10-5-6-11(17-2)12(8-10)18-3/h5-6,8H,4,7,9H2,1-3H3

Composition: C (57.46%), H (6.68%), Cl (13.05%), N (5.15%), O (17.66%)

Molar Mass: 271.74

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	271.0975211
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZFJPSSSKOFOCQN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.99
Topological Polar Surface Area	38.77
Polarizability	27.62
Ring Count	1
Rotatable Bond Count	6

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