ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate

C18H19ClN2O3 — CID 9099399

IUPACethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1ccc(C)cc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-3-24-18(23)13-6-4-5-7-15(13)21-17(22)11-20-16-9-8-12(2)10-14(16)19/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyJHCUUBBGJZJVIC-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.88
Rot. Bonds6

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

ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate (PubChem CID 9099399) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
PubChem CID9099399
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Nameethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1ccc(C)cc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-3-24-18(23)13-6-4-5-7-15(13)21-17(22)11-20-16-9-8-12(2)10-14(16)19/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyJHCUUBBGJZJVIC-UHFFFAOYSA-N
XLogP3.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ethyl 2-[[2-(4-chloro-2-fluoroanilino)acetyl]amino]benzoate
CID 9099668
ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate
CID 26507234
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 42069343
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106367
ethyl 2-(propanoylamino)benzoate
CID 4190428
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 7758284
methyl 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 37472030
ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009177
ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110428348
ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
CID 109011291

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate (CID 9099399) is ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CNc1ccc(C)cc1Cl.
What is the InChIKey of ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate?
The InChIKey is JHCUUBBGJZJVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-24-18(23)13-6-4-5-7-15(13)21-17(22)11-20-16-9-8-12(2)10-14(16)19/h4-10,20H,3,11H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate?
ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate has a molecular weight of 346.81 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 9099399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).