4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide

C16H16ClNO2 — CID 23219702

IUPAC4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide
SMILESCc1c(OCc2ccc(Cl)cc2)ccc(C(N)=O)c1C
InChIInChI=1S/C16H16ClNO2/c1-10-11(2)15(8-7-14(10)16(18)19)20-9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyNZQSQZOMIUEOPV-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.63
Rot. Bonds4

About 4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide

4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide (PubChem CID 23219702) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide
PubChem CID23219702
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide
SMILESCc1c(OCc2ccc(Cl)cc2)ccc(C(N)=O)c1C
InChIInChI=1S/C16H16ClNO2/c1-10-11(2)15(8-7-14(10)16(18)19)20-9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyNZQSQZOMIUEOPV-UHFFFAOYSA-N
XLogP3.63
TPSA52.32 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide
CID 57071243
1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone
CID 11243259
4-chloro-2-[(4-methylphenyl)methoxy]benzenecarbothioamide
CID 114323054
4-chloro-2-[(4-cyanophenyl)methoxy]benzamide
CID 47467976
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151
5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide
CID 91681758
1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone
CID 82051875
4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide
CID 91679833
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide (CID 23219702) is 4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide is Cc1c(OCc2ccc(Cl)cc2)ccc(C(N)=O)c1C.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide?
The InChIKey is NZQSQZOMIUEOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-11(2)15(8-7-14(10)16(18)19)20-9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H2,18,19).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide?
4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide is sourced from PubChem (CID 23219702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).