4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide

C15H14BrN3O2 — CID 34284736

IUPAC4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1cc(Br)c[nH]1
InChIInChI=1S/C15H14BrN3O2/c16-9-7-13(17-8-9)15(21)19-12-4-2-1-3-11(12)14(20)18-10-5-6-10/h1-4,7-8,10,17H,5-6H2,(H,18,20)(H,19,21)
InChIKeyBQZHAZIHWCEHKH-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.92
Rot. Bonds4

About 4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 34284736) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID34284736
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1cc(Br)c[nH]1
InChIInChI=1S/C15H14BrN3O2/c16-9-7-13(17-8-9)15(21)19-12-4-2-1-3-11(12)14(20)18-10-5-6-10/h1-4,7-8,10,17H,5-6H2,(H,18,20)(H,19,21)
InChIKeyBQZHAZIHWCEHKH-UHFFFAOYSA-N
XLogP2.92
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide
CID 31303460
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 26905641
4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 64793249
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 38112267
4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 36679405
2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide
CID 74513688
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide (CID 34284736) is 4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide is O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is BQZHAZIHWCEHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-9-7-13(17-8-9)15(21)19-12-4-2-1-3-11(12)14(20)18-10-5-6-10/h1-4,7-8,10,17H,5-6H2,(H,18,20)(H,19,21).
What are the key properties of 4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 34284736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).