(2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide

C21H22ClN3O2 — CID 51962158

IUPAC(2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H22ClN3O2/c22-16-4-1-3-15(13-16)19-5-2-12-25(19)21(27)24-18-8-6-14(7-9-18)20(26)23-17-10-11-17/h1,3-4,6-9,13,17,19H,2,5,10-12H2,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyPEBBERSXKVNRLY-LJQANCHMSA-N
MW383.88 g/mol
LogP4.60
Rot. Bonds4

About (2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide

(2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 51962158) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID51962158
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name(2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H22ClN3O2/c22-16-4-1-3-15(13-16)19-5-2-12-25(19)21(27)24-18-8-6-14(7-9-18)20(26)23-17-10-11-17/h1,3-4,6-9,13,17,19H,2,5,10-12H2,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyPEBBERSXKVNRLY-LJQANCHMSA-N
XLogP4.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide
CID 78892795
2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide
CID 87010152
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
3-[(2R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-2-yl]benzoic acid
CID 66653144
(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 95131161
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51856550
methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 51855981
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 51694814
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide (CID 51962158) is (2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide is O=C(NC1CC1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is PEBBERSXKVNRLY-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-16-4-1-3-15(13-16)19-5-2-12-25(19)21(27)24-18-8-6-14(7-9-18)20(26)23-17-10-11-17/h1,3-4,6-9,13,17,19H,2,5,10-12H2,(H,23,26)(H,24,27)/t19-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
(2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 51962158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).