N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide

C12H15BrN2O — CID 103808589

IUPACN-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1c(Br)cccc1NC(=O)C1CCNC1
InChIInChI=1S/C12H15BrN2O/c1-8-10(13)3-2-4-11(8)15-12(16)9-5-6-14-7-9/h2-4,9,14H,5-7H2,1H3,(H,15,16)
InChIKeyRYHMDZKTRJVQCJ-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.31
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide

N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 103808589) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID103808589
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1c(Br)cccc1NC(=O)C1CCNC1
InChIInChI=1S/C12H15BrN2O/c1-8-10(13)3-2-4-11(8)15-12(16)9-5-6-14-7-9/h2-4,9,14H,5-7H2,1H3,(H,15,16)
InChIKeyRYHMDZKTRJVQCJ-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-2-methylphenyl)pyrrolidine-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-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006819
N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
CID 103639120
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119715831
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
CID 60945170
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 103794811
3-[(3-bromo-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103953226
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119281807

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide (CID 103808589) is N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide is Cc1c(Br)cccc1NC(=O)C1CCNC1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is RYHMDZKTRJVQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-10(13)3-2-4-11(8)15-12(16)9-5-6-14-7-9/h2-4,9,14H,5-7H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide?
N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103808589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).