4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide

C12H10BrClN2O — CID 59196757

IUPAC4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)Nc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C12H10BrClN2O/c1-7-10(13)6-11(15-7)12(17)16-9-4-2-8(14)3-5-9/h2-6,15H,1H3,(H,16,17)
InChIKeyQIMBDXIKJURDKN-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.99
Rot. Bonds2

About 4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide

4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 59196757) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID59196757
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)Nc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C12H10BrClN2O/c1-7-10(13)6-11(15-7)12(17)16-9-4-2-8(14)3-5-9/h2-6,15H,1H3,(H,16,17)
InChIKeyQIMBDXIKJURDKN-UHFFFAOYSA-N
XLogP3.99
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-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-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31302300
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
N-(4-chlorophenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 12664397
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide
CID 63117531
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
3-bromo-5-chloro-N-(4-chlorophenyl)-2-methoxybenzamide
CID 67556921
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide (CID 59196757) is 4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)Nc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is QIMBDXIKJURDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-7-10(13)6-11(15-7)12(17)16-9-4-2-8(14)3-5-9/h2-6,15H,1H3,(H,16,17).
What are the key properties of 4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide?
4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 313.58 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 59196757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).