(2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide

C19H25ClN2O2 — CID 110354039

IUPAC(2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C19H25ClN2O2/c1-13(14-5-2-3-6-14)19(24)22-12-4-7-17(22)18(23)21-16-10-8-15(20)9-11-16/h8-11,13-14,17H,2-7,12H2,1H3,(H,21,23)/t13?,17-/m0/s1
InChIKeyZUSWXFKASCSRBJ-RUINGEJQSA-N
MW348.87 g/mol
LogP4.10
Rot. Bonds4

About (2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide

(2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 110354039) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID110354039
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name(2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C19H25ClN2O2/c1-13(14-5-2-3-6-14)19(24)22-12-4-7-17(22)18(23)21-16-10-8-15(20)9-11-16/h8-11,13-14,17H,2-7,12H2,1H3,(H,21,23)/t13?,17-/m0/s1
InChIKeyZUSWXFKASCSRBJ-RUINGEJQSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
(2S)-N-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxamide
CID 110306001
(2R)-N-(4-chlorophenyl)-1-(methylcarbamothioyl)pyrrolidine-2-carboxamide
CID 899037
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
1-[2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]-N-phenylpyrrolidine-2-carboxamide
CID 91170695
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
(2R)-N-[4-(azepan-1-yl)phenyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 94621419
1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293621
methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754545
N-[4-(diethylamino)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 60527411
N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46748924

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide (CID 110354039) is (2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide is CC(C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is ZUSWXFKASCSRBJ-RUINGEJQSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-13(14-5-2-3-6-14)19(24)22-12-4-7-17(22)18(23)21-16-10-8-15(20)9-11-16/h8-11,13-14,17H,2-7,12H2,1H3,(H,21,23)/t13?,17-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 348.87 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110354039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).