methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate

C18H17ClN2O4 — CID 55789119

IUPACmethyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H17ClN2O4/c1-21(11-16(22)20-15-9-4-3-8-14(15)19)17(23)12-6-5-7-13(10-12)18(24)25-2/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyWTMJLTQDVCSHDE-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.84
Rot. Bonds5

About methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate

methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate (PubChem CID 55789119) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
PubChem CID55789119
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Namemethyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H17ClN2O4/c1-21(11-16(22)20-15-9-4-3-8-14(15)19)17(23)12-6-5-7-13(10-12)18(24)25-2/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyWTMJLTQDVCSHDE-UHFFFAOYSA-N
XLogP2.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]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

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26560772
N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949699
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-chlorophenyl)sulfamoyl]-N-methylbenzamide
CID 26560928
3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 46472425
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 4875964
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 35678379
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 25163401
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9378681
N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 9409794
methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate
CID 43404884
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
CID 9431771

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate?
The IUPAC name of methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate (CID 55789119) is methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate?
The canonical SMILES for methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate is COC(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate?
The InChIKey is WTMJLTQDVCSHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-21(11-16(22)20-15-9-4-3-8-14(15)19)17(23)12-6-5-7-13(10-12)18(24)25-2/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate?
methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate has a molecular weight of 360.80 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate is sourced from PubChem (CID 55789119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).