N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide

C13H13BrN2O — CID 135071666

IUPACN-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2ccc[nH]2)c(Br)c1
InChIInChI=1S/C13H13BrN2O/c1-9-5-6-12(10(14)8-9)16(2)13(17)11-4-3-7-15-11/h3-8,15H,1-2H3
InChIKeyAHUUJGBMTUKSLP-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.36
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide

N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 135071666) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID135071666
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC NameN-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2ccc[nH]2)c(Br)c1
InChIInChI=1S/C13H13BrN2O/c1-9-5-6-12(10(14)8-9)16(2)13(17)11-4-3-7-15-11/h3-8,15H,1-2H3
InChIKeyAHUUJGBMTUKSLP-UHFFFAOYSA-N
XLogP3.36
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide
CID 28794580
3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402389
(115N)1H-pyrrole-2-carboxylic acid
CID 58083588
N-(6-amino-3-pyridinyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 115274565
6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 103874287
4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 81308269
2-bromo-N-(2,4-dimethylphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027687
N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide
CID 47313258
N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 74884160
N-hydroxy-N-phenyl-1H-pyrrole-2-carboxamide
CID 22360432
N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474637
2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 122673088

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide (CID 135071666) is N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide is Cc1ccc(N(C)C(=O)c2ccc[nH]2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is AHUUJGBMTUKSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-5-6-12(10(14)8-9)16(2)13(17)11-4-3-7-15-11/h3-8,15H,1-2H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide?
N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 293.16 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135071666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).