N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide

C13H16BrClN2O — CID 104723664

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)C2(C)CCNC2)cc1Cl
InChIInChI=1S/C13H16BrClN2O/c1-8-5-9(14)11(6-10(8)15)17-12(18)13(2)3-4-16-7-13/h5-6,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyFCBZNZHCGOSRTI-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.35
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide

N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 104723664) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID104723664
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)C2(C)CCNC2)cc1Cl
InChIInChI=1S/C13H16BrClN2O/c1-8-5-9(14)11(6-10(8)15)17-12(18)13(2)3-4-16-7-13/h5-6,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyFCBZNZHCGOSRTI-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-5-chloro-4-methylphenyl)-3-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-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
CID 104727176
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-(2,5-dichloro-4-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 104727096
N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141111
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619
N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide
CID 55164754
N-(2-bromo-5-chloro-4-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 104723753
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 66256845
N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63139281

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide (CID 104723664) is N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide is Cc1cc(Br)c(NC(=O)C2(C)CCNC2)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is FCBZNZHCGOSRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c1-8-5-9(14)11(6-10(8)15)17-12(18)13(2)3-4-16-7-13/h5-6,16H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 331.64 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 104723664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).