3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide

C16H16ClNO3 — CID 95970560

IUPAC3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2OC)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-20-14-6-4-3-5-12(14)10-18-16(19)11-7-8-15(21-2)13(17)9-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVBVPAUPMVINJAO-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.29
Rot. Bonds5

About 3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide

3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 95970560) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID95970560
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2OC)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-20-14-6-4-3-5-12(14)10-18-16(19)11-7-8-15(21-2)13(17)9-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVBVPAUPMVINJAO-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

4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9246284
3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 43333393
4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 109047395
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 103830352
4-[[(3-chloro-4-methoxybenzoyl)amino]methyl]benzoic acid
CID 17171911

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide (CID 95970560) is 3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccc(C(=O)NCc2ccccc2OC)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is VBVPAUPMVINJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-14-6-4-3-5-12(14)10-18-16(19)11-7-8-15(21-2)13(17)9-11/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide?
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide 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 3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 95970560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).