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

C12H10BrIN2O — CID 60667388

IUPAC4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1I
InChIInChI=1S/C12H10BrIN2O/c1-7-2-3-9(5-10(7)14)16-12(17)11-4-8(13)6-15-11/h2-6,15H,1H3,(H,16,17)
InChIKeyDESHDXZORXRDSP-UHFFFAOYSA-N
MW405.03 g/mol
LogP3.94
Rot. Bonds2

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

4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 60667388) has the molecular formula C12H10BrIN2O and a molecular weight of 405.03 g/mol. Its IUPAC name is 4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID60667388
Molecular FormulaC12H10BrIN2O
Molecular Weight405.03 g/mol
Exact Mass403.90
IUPAC Name4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1I
InChIInChI=1S/C12H10BrIN2O/c1-7-2-3-9(5-10(7)14)16-12(17)11-4-8(13)6-15-11/h2-6,15H,1H3,(H,16,17)
InChIKeyDESHDXZORXRDSP-UHFFFAOYSA-N
XLogP3.94
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.03
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 18109255
4-bromo-N-(4-bromo-3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 107613080
4-bromo-N-(4-bromo-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 79421457
4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 55220101
4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 107271771
3-bromo-5-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107951955
4-bromo-N-(3-iodo-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60698312
4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 64793249
4-bromo-N-(2-hydroxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 18109016
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 17459532
4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide
CID 63252902
4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9255934

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide (CID 60667388) is 4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide is Cc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1I.
What is the InChIKey of 4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is DESHDXZORXRDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2O/c1-7-2-3-9(5-10(7)14)16-12(17)11-4-8(13)6-15-11/h2-6,15H,1H3,(H,16,17).
What are the key properties of 4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 405.03 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60667388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).