(2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide

C13H17BrN2O — CID 146358139

IUPAC(2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-16-8-2-3-12(16)13(17)15-9-10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeySTODFRYBIVIFCF-LBPRGKRZSA-N
MW297.20 g/mol
LogP2.16
Rot. Bonds3

About (2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide

(2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 146358139) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is (2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID146358139
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name(2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-16-8-2-3-12(16)13(17)15-9-10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeySTODFRYBIVIFCF-LBPRGKRZSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-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-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630
1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 24617269
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146358334
(2S)-1-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146358192
1-methyl-N-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 144650708
1-(4-bromophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 24617176
(2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide
CID 97113385
(2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 152504880
2-[(4-bromophenyl)methylcarbamoylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 123734183
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
tert-butyl (2S)-2-[(4-bromophenyl)methylcarbamoylcarbamoyl]pyrrolidine-1-carboxylate
CID 71138687

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide (CID 146358139) is (2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide is CN1CCC[C@H]1C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of (2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is STODFRYBIVIFCF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-16-8-2-3-12(16)13(17)15-9-10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide?
(2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 146358139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).