N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide

C15H21ClN2O — CID 110461441

IUPACN-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CCCN1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-15(2,11-5-3-6-12(16)9-11)10-18-14(19)13-7-4-8-17-13/h3,5-6,9,13,17H,4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyVJCSNAJZQQNZNN-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.49
Rot. Bonds4

About N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide

N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide (PubChem CID 110461441) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
PubChem CID110461441
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CCCN1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-15(2,11-5-3-6-12(16)9-11)10-18-14(19)13-7-4-8-17-13/h3,5-6,9,13,17H,4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyVJCSNAJZQQNZNN-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314229
N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide
CID 119297349
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
CID 119316485
(2S)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 93398876
(2R)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119724295
N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 115159331
N-[2-methyl-2-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 119318660
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119325005
N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119336985
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668
(2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 170437173

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide (CID 110461441) is N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide is CC(C)(CNC(=O)C1CCCN1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
The InChIKey is VJCSNAJZQQNZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-15(2,11-5-3-6-12(16)9-11)10-18-14(19)13-7-4-8-17-13/h3,5-6,9,13,17H,4,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110461441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).