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

C15H19ClN2O2 — CID 110286200

IUPAC(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)15(20)18-9-3-4-13(18)14(19)17-12-7-5-11(16)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyICWIGHMSXSPLSJ-ZDUSSCGKSA-N
MW294.78 g/mol
LogP2.93
Rot. Bonds3

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

(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 110286200) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID110286200
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)15(20)18-9-3-4-13(18)14(19)17-12-7-5-11(16)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyICWIGHMSXSPLSJ-ZDUSSCGKSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
CID 110354039
N-[4-(diethylamino)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 60527411
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide
CID 60527303
1-(2-methylpropanoyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 55875608
(2R)-N-[4-(azepan-1-yl)phenyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 94621419
(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
N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55874024
(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95653604
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (CID 110286200) is (2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is ICWIGHMSXSPLSJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(2)15(20)18-9-3-4-13(18)14(19)17-12-7-5-11(16)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.93, 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-(2-methylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110286200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).