3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide

C15H13Cl2NO2 — CID 789214

IUPAC3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO2/c1-20-12-5-2-10(3-6-12)9-18-15(19)11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyIHMRPLIOWCIAJT-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.93
Rot. Bonds4

About 3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide

3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 789214) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID789214
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO2/c1-20-12-5-2-10(3-6-12)9-18-15(19)11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyIHMRPLIOWCIAJT-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzamide
CID 34819420
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
5-chloro-N-[(4-methoxyphenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62172418
4-chloro-N-[(4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7959660
N-[(4-carbamothioylphenyl)methyl]-3,4-dichlorobenzamide
CID 62311218
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
4-[[(3-chloro-4-methoxybenzoyl)amino]methyl]benzoic acid
CID 17171911
3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
CID 18848436
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide (CID 789214) is 3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is IHMRPLIOWCIAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-20-12-5-2-10(3-6-12)9-18-15(19)11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide?
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 310.18 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 789214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).