methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate

C17H16ClNO3 — CID 38239137

IUPACmethyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2ccccc2C)ccc1Cl
InChIInChI=1S/C17H16ClNO3/c1-11-5-3-4-6-12(11)9-16(20)19-13-7-8-15(18)14(10-13)17(21)22-2/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyRTKNWSPZZVWKAK-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.62
Rot. Bonds4

About methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate

methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate (PubChem CID 38239137) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate
PubChem CID38239137
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Namemethyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2ccccc2C)ccc1Cl
InChIInChI=1S/C17H16ClNO3/c1-11-5-3-4-6-12(11)9-16(20)19-13-7-8-15(18)14(10-13)17(21)22-2/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyRTKNWSPZZVWKAK-UHFFFAOYSA-N
XLogP3.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 60748562
methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43672704
methyl 2-chloro-5-(3-chloropropanoylamino)benzoate
CID 43696506
methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
CID 38236695
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998357
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
methyl 2-chloro-5-(4-chlorobutanoylamino)benzoate
CID 55204060
methyl 2-chloro-5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoate
CID 38239611
methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 38236114
methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 38239776
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 60615922
methyl 2-chloro-5-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
CID 38238559

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate (CID 38239137) is methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate is COC(=O)c1cc(NC(=O)Cc2ccccc2C)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate?
The InChIKey is RTKNWSPZZVWKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-11-5-3-4-6-12(11)9-16(20)19-13-7-8-15(18)14(10-13)17(21)22-2/h3-8,10H,9H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate?
methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate has a molecular weight of 317.77 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 38239137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).