N-(3-iodophenyl)-1H-pyrrole-2-carboxamide

C11H9IN2O — CID 51210999

IUPACN-(3-iodophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1ccc[nH]1
InChIInChI=1S/C11H9IN2O/c12-8-3-1-4-9(7-8)14-11(15)10-5-2-6-13-10/h1-7,13H,(H,14,15)
InChIKeyZFUGDWMYOKCKPC-UHFFFAOYSA-N
MW312.11 g/mol
LogP2.87
Rot. Bonds2

About N-(3-iodophenyl)-1H-pyrrole-2-carboxamide

N-(3-iodophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 51210999) has the molecular formula C11H9IN2O and a molecular weight of 312.11 g/mol. Its IUPAC name is N-(3-iodophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-1H-pyrrole-2-carboxamide
PubChem CID51210999
Molecular FormulaC11H9IN2O
Molecular Weight312.11 g/mol
Exact Mass311.98
IUPAC NameN-(3-iodophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1ccc[nH]1
InChIInChI=1S/C11H9IN2O/c12-8-3-1-4-9(7-8)14-11(15)10-5-2-6-13-10/h1-7,13H,(H,14,15)
InChIKeyZFUGDWMYOKCKPC-UHFFFAOYSA-N
XLogP2.87
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 52.87
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

N-(3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 28741153
N-(3-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60653882
5-benzamido-1-N,3-N-bis(3-iodophenyl)benzene-1,3-dicarboxamide
CID 3501081
N-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide
CID 110691028
N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210699
3,5-diamino-N-(3-iodophenyl)benzamide
CID 61095528
2,3-difluoro-N-(3-iodophenyl)benzamide
CID 62650350
N-[4-(aminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480991
N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480979
N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 9400205
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 110461124
N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide
CID 103767046

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-iodophenyl)-1H-pyrrole-2-carboxamide (CID 51210999) is N-(3-iodophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-iodophenyl)-1H-pyrrole-2-carboxamide is O=C(Nc1cccc(I)c1)c1ccc[nH]1.
What is the InChIKey of N-(3-iodophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZFUGDWMYOKCKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O/c12-8-3-1-4-9(7-8)14-11(15)10-5-2-6-13-10/h1-7,13H,(H,14,15).
What are the key properties of N-(3-iodophenyl)-1H-pyrrole-2-carboxamide?
N-(3-iodophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 312.11 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51210999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).