5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide

C16H17ClN2O2 — CID 62173121

IUPAC5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C16H17ClN2O2/c1-18-15-8-5-12(17)9-14(15)16(20)19-10-11-3-6-13(21-2)7-4-11/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyJSIFCSOQFSBGRK-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.32
Rot. Bonds5

About 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide

5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide (PubChem CID 62173121) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide
PubChem CID62173121
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C16H17ClN2O2/c1-18-15-8-5-12(17)9-14(15)16(20)19-10-11-3-6-13(21-2)7-4-11/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyJSIFCSOQFSBGRK-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 62510796
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
N-[(4-methoxyphenyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239365
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984
3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 103606489
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide (CID 62173121) is 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide is CNc1ccc(Cl)cc1C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide?
The InChIKey is JSIFCSOQFSBGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-18-15-8-5-12(17)9-14(15)16(20)19-10-11-3-6-13(21-2)7-4-11/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide?
5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide is sourced from PubChem (CID 62173121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).