N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide

C12H11IN2O — CID 4791148

IUPACN-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H11IN2O/c1-15-8-2-3-11(15)12(16)14-10-6-4-9(13)5-7-10/h2-8H,1H3,(H,14,16)
InChIKeyCHHBZWAYONWCJK-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.88
Rot. Bonds2

About N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide

N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 4791148) has the molecular formula C12H11IN2O and a molecular weight of 326.14 g/mol. Its IUPAC name is N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID4791148
Molecular FormulaC12H11IN2O
Molecular Weight326.14 g/mol
Exact Mass325.99
IUPAC NameN-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H11IN2O/c1-15-8-2-3-11(15)12(16)14-10-6-4-9(13)5-7-10/h2-8H,1H3,(H,14,16)
InChIKeyCHHBZWAYONWCJK-UHFFFAOYSA-N
XLogP2.88
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide
CID 139398325
1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 61400251
N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide
CID 71874430
(2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid
CID 129401452
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194
N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 65431810
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 162733829
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 55520483
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43599964
1-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrole-2-carboxamide
CID 78875733
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55882184

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide (CID 4791148) is N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is CHHBZWAYONWCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O/c1-15-8-2-3-11(15)12(16)14-10-6-4-9(13)5-7-10/h2-8H,1H3,(H,14,16).
What are the key properties of N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide?
N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 326.14 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 4791148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).