N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide

C25H24ClN3O2 — CID 134797544

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCN1C(=O)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H24ClN3O2/c26-21-11-9-18(10-12-21)13-15-28-24(30)23-8-4-16-29(23)25(31)20-6-3-5-19(17-20)22-7-1-2-14-27-22/h1-3,5-7,9-12,14,17,23H,4,8,13,15-16H2,(H,28,30)
InChIKeyPFKVKCVWRYCHEY-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.37
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 134797544) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID134797544
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCN1C(=O)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H24ClN3O2/c26-21-11-9-18(10-12-21)13-15-28-24(30)23-8-4-16-29(23)25(31)20-6-3-5-19(17-20)22-7-1-2-14-27-22/h1-3,5-7,9-12,14,17,23H,4,8,13,15-16H2,(H,28,30)
InChIKeyPFKVKCVWRYCHEY-UHFFFAOYSA-N
XLogP4.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 134798830
N-cyclopentyl-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134799641
(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 1468798
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 50815971
N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134803976
(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683
1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 50815932
N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134801025
tert-butyl (2S)-2-[2-(4-chlorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 36769436
N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134803506
1-[2-(4-chlorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 75554503

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide (CID 134797544) is N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCCN1C(=O)c1cccc(-c2ccccn2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is PFKVKCVWRYCHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c26-21-11-9-18(10-12-21)13-15-28-24(30)23-8-4-16-29(23)25(31)20-6-3-5-19(17-20)22-7-1-2-14-27-22/h1-3,5-7,9-12,14,17,23H,4,8,13,15-16H2,(H,28,30).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 433.94 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134797544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).