N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide

C15H21ClN2O — CID 63714601

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)C1CNCC1C
InChIInChI=1S/C15H21ClN2O/c1-10-8-17-9-14(10)15(19)18-11(2)7-12-3-5-13(16)6-4-12/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyGMTFFEBJKRNUIG-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.24
Rot. Bonds4

About N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide

N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 63714601) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
PubChem CID63714601
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)C1CNCC1C
InChIInChI=1S/C15H21ClN2O/c1-10-8-17-9-14(10)15(19)18-11(2)7-12-3-5-13(16)6-4-12/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyGMTFFEBJKRNUIG-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897
(3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 114084833
N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714179
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63714822
N-(4-ethylsulfanylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747672
4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
CID 63714459
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide (CID 63714601) is N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide is CC(Cc1ccc(Cl)cc1)NC(=O)C1CNCC1C.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is GMTFFEBJKRNUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-8-17-9-14(10)15(19)18-11(2)7-12-3-5-13(16)6-4-12/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide?
N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63714601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).