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115514-67-5 | Benzamide, N-[2-(3-chloro-4-methoxyphenyl)ethyl]-
CAS No: 115514-67-5 Catalog No: AG000G3X MDL No:
Product Description
Catalog Number:
AG000G3X
Chemical Name:
Benzamide, N-[2-(3-chloro-4-methoxyphenyl)ethyl]-
CAS Number:
115514-67-5
Molecular Formula:
C16H16ClNO2
Molecular Weight:
289.7567
IUPAC Name:
N-[2-(3-chloro-4-methoxyphenyl)ethyl]benzamide
InChI:
InChI=1S/C16H16ClNO2/c1-20-15-8-7-12(11-14(15)17)9-10-18-16(19)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19)
InChI Key:
BWPSRGOPTUJDSC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cl)CCNC(=O)c1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.759g/mol
Monoisotopic Mass:
289.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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