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

C16H16ClNO2 — CID 47449992

IUPAC4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H16ClNO2/c1-11-3-5-12(6-4-11)10-18-16(19)14-8-7-13(17)9-15(14)20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyRWHSCJDWIWKLMZ-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.59
Rot. Bonds4

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

4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 47449992) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
PubChem CID47449992
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H16ClNO2/c1-11-3-5-12(6-4-11)10-18-16(19)14-8-7-13(17)9-15(14)20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyRWHSCJDWIWKLMZ-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide
CID 670832
N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
CID 62500246
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide
CID 60611767
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2,4-dimethoxy-3-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 110763344
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide (CID 47449992) is 4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide is COc1cc(Cl)ccc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is RWHSCJDWIWKLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-3-5-12(6-4-11)10-18-16(19)14-8-7-13(17)9-15(14)20-2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide?
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 289.76 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 47449992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).