(2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide

C26H25ClN2O3 — CID 134803415

IUPAC(2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1-c1cccc(C(=O)N2CCC[C@H]2C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C26H25ClN2O3/c1-32-24-13-3-2-11-22(24)19-8-5-9-20(16-19)26(31)29-14-6-12-23(29)25(30)28-17-18-7-4-10-21(27)15-18/h2-5,7-11,13,15-16,23H,6,12,14,17H2,1H3,(H,28,30)/t23-/m0/s1
InChIKeyGCXZIBQQUOCICG-QHCPKHFHSA-N
MW448.95 g/mol
LogP4.94
Rot. Bonds6

About (2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide

(2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 134803415) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is (2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID134803415
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC Name(2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1-c1cccc(C(=O)N2CCC[C@H]2C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C26H25ClN2O3/c1-32-24-13-3-2-11-22(24)19-8-5-9-20(16-19)26(31)29-14-6-12-23(29)25(30)28-17-18-7-4-10-21(27)15-18/h2-5,7-11,13,15-16,23H,6,12,14,17H2,1H3,(H,28,30)/t23-/m0/s1
InChIKeyGCXZIBQQUOCICG-QHCPKHFHSA-N
XLogP4.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide (CID 134803415) is (2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide is COc1ccccc1-c1cccc(C(=O)N2CCC[C@H]2C(=O)NCc2cccc(Cl)c2)c1.
What is the InChIKey of (2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is GCXZIBQQUOCICG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c1-32-24-13-3-2-11-22(24)19-8-5-9-20(16-19)26(31)29-14-6-12-23(29)25(30)28-17-18-7-4-10-21(27)15-18/h2-5,7-11,13,15-16,23H,6,12,14,17H2,1H3,(H,28,30)/t23-/m0/s1.
What are the key properties of (2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
(2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 448.95 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134803415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).