(2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide

C22H26ClN3O — CID 45233557

IUPAC(2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](NCc2cccc(Cl)c2)CN1C1Cc2ccccc2C1
InChIInChI=1S/C22H26ClN3O/c1-24-22(27)21-12-19(25-13-15-5-4-8-18(23)9-15)14-26(21)20-10-16-6-2-3-7-17(16)11-20/h2-9,19-21,25H,10-14H2,1H3,(H,24,27)/t19-,21-/m0/s1
InChIKeyNZONJNBMTQIWRM-FPOVZHCZSA-N
MW383.92 g/mol
LogP2.79
Rot. Bonds5

About (2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide

(2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 45233557) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is (2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID45233557
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name(2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](NCc2cccc(Cl)c2)CN1C1Cc2ccccc2C1
InChIInChI=1S/C22H26ClN3O/c1-24-22(27)21-12-19(25-13-15-5-4-8-18(23)9-15)14-26(21)20-10-16-6-2-3-7-17(16)11-20/h2-9,19-21,25H,10-14H2,1H3,(H,24,27)/t19-,21-/m0/s1
InChIKeyNZONJNBMTQIWRM-FPOVZHCZSA-N
XLogP2.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-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

Related Compounds

(2S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-[(3-methylphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45183133
(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-[(3-methylphenyl)methylamino]pyrrolidine-2-carboxamide
CID 29256708
(2S,4R)-4-[(2,5-difluorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 45245777
(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-[(3-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide
CID 126466938
(2S,4S)-1-[(3-chlorophenyl)methyl]-N-methyl-4-[(3-phenylmethoxyphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45245718
(2S,4R)-4-[(3-fluorophenyl)methylamino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 45242634
(2S,4R)-1-[(3-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylamino]-N-methylpyrrolidine-2-carboxamide
CID 45235483
(2S,4S)-1-benzyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide
CID 45223733
(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-[(4-methoxy-2,3-dimethylphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45214236
(2S,4R)-1-(2,2-diphenylethyl)-4-[(3-methoxyphenyl)methylamino]-N-methylpyrrolidine-2-carboxamide
CID 45252587
(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide
CID 118757474
(2S,4S)-N-methyl-4-[(4-propan-2-ylphenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118754861

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide (CID 45233557) is (2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](NCc2cccc(Cl)c2)CN1C1Cc2ccccc2C1.
What is the InChIKey of (2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is NZONJNBMTQIWRM-FPOVZHCZSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-24-22(27)21-12-19(25-13-15-5-4-8-18(23)9-15)14-26(21)20-10-16-6-2-3-7-17(16)11-20/h2-9,19-21,25H,10-14H2,1H3,(H,24,27)/t19-,21-/m0/s1.
What are the key properties of (2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide?
(2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 383.92 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 45233557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).