N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

C13H18BrClN2O — CID 119704619

IUPACN-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2(C)CCNC2)cc1Br.Cl
InChIInChI=1S/C13H17BrN2O.ClH/c1-9-3-4-10(7-11(9)14)16-12(17)13(2)5-6-15-8-13;/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17);1H
InChIKeySYEQSRWJFMEZDY-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.12
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119704619) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119704619
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC NameN-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2(C)CCNC2)cc1Br.Cl
InChIInChI=1S/C13H17BrN2O.ClH/c1-9-3-4-10(7-11(9)14)16-12(17)13(2)5-6-15-8-13;/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17);1H
InChIKeySYEQSRWJFMEZDY-UHFFFAOYSA-N
XLogP3.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119704635
3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 79240444
N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119700277
2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63141374
N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165707
N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121630
N-(5-acetamido-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705037
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119704619) is N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2(C)CCNC2)cc1Br.Cl.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is SYEQSRWJFMEZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O.ClH/c1-9-3-4-10(7-11(9)14)16-12(17)13(2)5-6-15-8-13;/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 333.66 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119704619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).