2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

C15H21ClN2O — CID 47330063

IUPAC2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O/c1-11(2)10-17-15(19)18-9-5-8-14(18)12-6-3-4-7-13(12)16/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,17,19)
InChIKeyVTBVIBRMEUMJIZ-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.84
Rot. Bonds3

About 2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 47330063) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID47330063
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O/c1-11(2)10-17-15(19)18-9-5-8-14(18)12-6-3-4-7-13(12)16/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,17,19)
InChIKeyVTBVIBRMEUMJIZ-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 94196270
(2S)-2-(2-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 93076875
3-chloro-1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 62727780
ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
CID 94610145
methyl 2-[[2-(2-chlorophenyl)azepane-1-carbonyl]amino]acetate
CID 50945778
(2S)-N-benzyl-2-(2-chlorophenyl)azepane-1-carboxamide
CID 93076759
(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 51694860
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876515
4-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497807
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
2-amino-1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872447
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 47330063) is 2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is CC(C)CNC(=O)N1CCCC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is VTBVIBRMEUMJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(2)10-17-15(19)18-9-5-8-14(18)12-6-3-4-7-13(12)16/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47330063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).