methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate

C19H19ClN2O3 — CID 51855981

IUPACmethyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O3/c1-25-18(23)14-6-10-16(11-7-14)21-19(24)22-12-2-3-17(22)13-4-8-15(20)9-5-13/h4-11,17H,2-3,12H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyCHEKMIVAVJBFBN-KRWDZBQOSA-N
MW358.83 g/mol
LogP4.50
Rot. Bonds3

About methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate

methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate (PubChem CID 51855981) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate
PubChem CID51855981
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Namemethyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O3/c1-25-18(23)14-6-10-16(11-7-14)21-19(24)22-12-2-3-17(22)13-4-8-15(20)9-5-13/h4-11,17H,2-3,12H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyCHEKMIVAVJBFBN-KRWDZBQOSA-N
XLogP4.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]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

(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 51856535
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 51694814
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 93076688
(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 51694827
methyl 4-fluoro-3-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 86994028
tert-butyl (2R)-2-(4-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 11536817
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
methyl 4-[[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95079988
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide
CID 55697597
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894228

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate (CID 51855981) is methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate?
The InChIKey is CHEKMIVAVJBFBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-25-18(23)14-6-10-16(11-7-14)21-19(24)22-12-2-3-17(22)13-4-8-15(20)9-5-13/h4-11,17H,2-3,12H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate?
methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate has a molecular weight of 358.83 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 51855981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).