2-chloro-N-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide

2-chloro-N-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide

CAS: 1397199-95-9

Formula: C16H17ClN2O3

SMILES: COC1=C(OC)C=C(C=C1)N(CC1=CC=CN=C1)C(=O)CCl

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

InChI: InChI=1S/C16H17ClN2O3/c1-21-14-6-5-13(8-15(14)22-2)19(16(20)9-17)11-12-4-3-7-18-10-12/h3-8,10H,9,11H2,1-2H3

Composition: C (59.91%), H (5.34%), Cl (11.05%), N (8.73%), O (14.96%)

Molar Mass: 320.77

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	320.0927701
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	RKMQXPKOFKLZHY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.17
Topological Polar Surface Area	51.66
Polarizability	32.62
Ring Count	2
Rotatable Bond Count	6

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