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

C15H17ClN2O2 — CID 110286201

IUPAC(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)C1CC1
InChIInChI=1S/C15H17ClN2O2/c16-11-5-7-12(8-6-11)17-14(19)13-2-1-9-18(13)15(20)10-3-4-10/h5-8,10,13H,1-4,9H2,(H,17,19)/t13-/m0/s1
InChIKeyIKINNDLOENVAPO-ZDUSSCGKSA-N
MW292.77 g/mol
LogP2.68
Rot. Bonds3

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

(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 110286201) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID110286201
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)C1CC1
InChIInChI=1S/C15H17ClN2O2/c16-11-5-7-12(8-6-11)17-14(19)13-2-1-9-18(13)15(20)10-3-4-10/h5-8,10,13H,1-4,9H2,(H,17,19)/t13-/m0/s1
InChIKeyIKINNDLOENVAPO-ZDUSSCGKSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.68
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
(2R)-N-(4-chlorophenyl)-1-(methylcarbamothioyl)pyrrolidine-2-carboxamide
CID 899037
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
(2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
CID 110354039
N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46748924
(2S)-N-[4-chloro-3-(ethylcarbamoyl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131920868
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 42757558
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
(2R)-1-(cyclopropanecarbonyl)-N-(3,5-difluoro-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 96545458
N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 110625911
(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131898261
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55763673

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide (CID 110286201) is (2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)C1CC1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is IKINNDLOENVAPO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-11-5-7-12(8-6-11)17-14(19)13-2-1-9-18(13)15(20)10-3-4-10/h5-8,10,13H,1-4,9H2,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.68, 3 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-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110286201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).