N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide

C16H16ClNO3 — CID 912340

IUPACN-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(Cl)cc2)c1OC
InChIInChI=1S/C16H16ClNO3/c1-20-14-5-3-4-13(15(14)21-2)16(19)18-10-11-6-8-12(17)9-7-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyUOVUMXWCHSMVPY-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.29
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide

N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide (PubChem CID 912340) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
PubChem CID912340
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(Cl)cc2)c1OC
InChIInChI=1S/C16H16ClNO3/c1-20-14-5-3-4-13(15(14)21-2)16(19)18-10-11-6-8-12(17)9-7-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyUOVUMXWCHSMVPY-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 11748334
methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate
CID 47057996
N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide
CID 121020532
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
4-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247051
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2,3-dimethoxybenzamide
CID 16866739
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 100531207
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 51158712
N-[(E)-4-chlorobut-2-enyl]-2,3-dimethoxybenzamide
CID 81431110
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide (CID 912340) is N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCc2ccc(Cl)cc2)c1OC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide?
The InChIKey is UOVUMXWCHSMVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-14-5-3-4-13(15(14)21-2)16(19)18-10-11-6-8-12(17)9-7-11/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide?
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide has a molecular weight of 305.76 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 912340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).