4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide

C12H11BrN2O2 — CID 64793249

IUPAC4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1c(O)cccc1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C12H11BrN2O2/c1-7-9(3-2-4-11(7)16)15-12(17)10-5-8(13)6-14-10/h2-6,14,16H,1H3,(H,15,17)
InChIKeyFBHKUVQXRFTADQ-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.04
Rot. Bonds2

About 4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 64793249) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID64793249
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1c(O)cccc1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C12H11BrN2O2/c1-7-9(3-2-4-11(7)16)15-12(17)10-5-8(13)6-14-10/h2-6,14,16H,1H3,(H,15,17)
InChIKeyFBHKUVQXRFTADQ-UHFFFAOYSA-N
XLogP3.04
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-methyl-3-nitrophenyl)-1H-pyrrole-2-carboxamide
CID 18097680
4-bromo-N-(2-hydroxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 18109016
4-bromo-N-(2-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 47116125
4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 62954640
3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793442
4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
CID 43410595
4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 55220101
4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide
CID 43411205
4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 60667388
4-bromo-N'-(2,3-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 31421337
4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 34284736
4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410594

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide (CID 64793249) is 4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide is Cc1c(O)cccc1NC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is FBHKUVQXRFTADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-7-9(3-2-4-11(7)16)15-12(17)10-5-8(13)6-14-10/h2-6,14,16H,1H3,(H,15,17).
What are the key properties of 4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 3.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 64793249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).