4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide

C17H17ClN2O3 — CID 17257138

IUPAC4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccc1C
InChIInChI=1S/C17H17ClN2O3/c1-10-6-4-5-7-14(10)20-17(22)12-8-13(18)15(19-11(2)21)9-16(12)23-3/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyAUVVOXBNJHOAFM-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.87
Rot. Bonds4

About 4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide

4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide (PubChem CID 17257138) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide
PubChem CID17257138
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccc1C
InChIInChI=1S/C17H17ClN2O3/c1-10-6-4-5-7-14(10)20-17(22)12-8-13(18)15(19-11(2)21)9-16(12)23-3/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyAUVVOXBNJHOAFM-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
CID 2988921
4-acetamido-5-chloro-N-(2,3-dichlorophenyl)-2-methoxybenzamide
CID 17257142
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702
4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 6490620
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
CID 14127147
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 7356959
4-acetamido-5-chloro-2-methoxy-N-(3-oxoprop-1-en-2-yl)benzamide
CID 10613903

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide (CID 17257138) is 4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide is COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccc1C.
What is the InChIKey of 4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide?
The InChIKey is AUVVOXBNJHOAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-10-6-4-5-7-14(10)20-17(22)12-8-13(18)15(19-11(2)21)9-16(12)23-3/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide?
4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide has a molecular weight of 332.79 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 17257138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).