(2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide

C20H22Cl2N2O — CID 46844065

IUPAC(2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O/c1-14(13-15-4-6-16(21)7-5-15)23-20(25)19-3-2-12-24(19)18-10-8-17(22)9-11-18/h4-11,14,19H,2-3,12-13H2,1H3,(H,23,25)/t14?,19-/m0/s1
InChIKeyLKTSYDCEVUESMP-PKDNWHCCSA-N
MW377.32 g/mol
LogP4.71
Rot. Bonds5

About (2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 46844065) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide
PubChem CID46844065
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name(2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O/c1-14(13-15-4-6-16(21)7-5-15)23-20(25)19-3-2-12-24(19)18-10-8-17(22)9-11-18/h4-11,14,19H,2-3,12-13H2,1H3,(H,23,25)/t14?,19-/m0/s1
InChIKeyLKTSYDCEVUESMP-PKDNWHCCSA-N
XLogP4.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 90115301
2-chloro-1-[(2R)-1-(4-chlorophenyl)pyrrolidin-2-yl]ethanone
CID 162743616
N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 75218553
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
(2S)-N-(4-tert-butylcyclohexyl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 46844122
(2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
CID 46843430
(2S)-1-(4-chlorophenyl)piperidine-2-carboxylic acid
CID 58564077
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
CID 43281472
(2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 88530997
1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 75218836
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714601

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide (CID 46844065) is (2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide is CC(Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is LKTSYDCEVUESMP-PKDNWHCCSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-14(13-15-4-6-16(21)7-5-15)23-20(25)19-3-2-12-24(19)18-10-8-17(22)9-11-18/h4-11,14,19H,2-3,12-13H2,1H3,(H,23,25)/t14?,19-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46844065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).