3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide

C17H18ClNO4 — CID 2713221

IUPAC3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C17H18ClNO4/c1-21-14-7-5-4-6-11(14)10-19-17(20)12-8-13(18)16(23-3)15(9-12)22-2/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyJYRLYOSWSMWGRC-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.30
Rot. Bonds6

About 3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide

3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 2713221) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID2713221
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C17H18ClNO4/c1-21-14-7-5-4-6-11(14)10-19-17(20)12-8-13(18)16(23-3)15(9-12)22-2/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyJYRLYOSWSMWGRC-UHFFFAOYSA-N
XLogP3.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46399730
3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9246284
3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
CID 5035331
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide
CID 40730715
4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 171463810
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide (CID 2713221) is 3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is JYRLYOSWSMWGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-21-14-7-5-4-6-11(14)10-19-17(20)12-8-13(18)16(23-3)15(9-12)22-2/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide?
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 335.79 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 2713221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).