N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide

C16H17BrN2O — CID 114609165

IUPACN-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2cccn2C2CCC2)ccc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-10-12(7-8-14(11)17)18-16(20)15-6-3-9-19(15)13-4-2-5-13/h3,6-10,13H,2,4-5H2,1H3,(H,18,20)
InChIKeyQGMBVZICZSTTOI-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.54
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide

N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide (PubChem CID 114609165) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide
PubChem CID114609165
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2cccn2C2CCC2)ccc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-10-12(7-8-14(11)17)18-16(20)15-6-3-9-19(15)13-4-2-5-13/h3,6-10,13H,2,4-5H2,1H3,(H,18,20)
InChIKeyQGMBVZICZSTTOI-UHFFFAOYSA-N
XLogP4.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194
4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114609051
N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609306
1-cyclopropyl-N-(3-hydroxyphenyl)pyrrole-2-carboxamide
CID 43639337
N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 61240041
tert-butyl 4-[2-[(4-methoxy-3-methylphenyl)carbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56580198
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid
CID 43639295
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid
CID 43639305
N-(4-bromo-3-methylphenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 53123941
N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610041
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide (CID 114609165) is N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide is Cc1cc(NC(=O)c2cccn2C2CCC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide?
The InChIKey is QGMBVZICZSTTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-10-12(7-8-14(11)17)18-16(20)15-6-3-9-19(15)13-4-2-5-13/h3,6-10,13H,2,4-5H2,1H3,(H,18,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide?
N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide has a molecular weight of 333.23 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide is sourced from PubChem (CID 114609165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).