ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate

C17H16ClNO3 — CID 16725910

IUPACethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C17H16ClNO3/c1-3-22-17(21)14-9-8-12(18)10-15(14)19-16(20)13-7-5-4-6-11(13)2/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyYYQXMDVZEQPSNP-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.08
Rot. Bonds4

About ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate

ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate (PubChem CID 16725910) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate
PubChem CID16725910
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Nameethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C17H16ClNO3/c1-3-22-17(21)14-9-8-12(18)10-15(14)19-16(20)13-7-5-4-6-11(13)2/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyYYQXMDVZEQPSNP-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-chloro-2-[(2-methylbenzoyl)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

ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate
CID 44577383
4-chloro-N-(2-methoxyethyl)-2-[(2-methylbenzoyl)amino]benzamide
CID 175979155
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202
ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate
CID 26507234
ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16651463
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate
CID 23770659
propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate
CID 44577387
ethyl 5-chloro-2-(2-methylphenyl)benzoate
CID 142890235
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate
CID 23666853
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620033

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate (CID 16725910) is ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate is CCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1C.
What is the InChIKey of ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate?
The InChIKey is YYQXMDVZEQPSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-3-22-17(21)14-9-8-12(18)10-15(14)19-16(20)13-7-5-4-6-11(13)2/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate?
ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate has a molecular weight of 317.77 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 16725910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).