N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide

C11H8ClIN2O — CID 103767046

IUPACN-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccc[nH]1
InChIInChI=1S/C11H8ClIN2O/c12-7-3-4-9(8(13)6-7)15-11(16)10-2-1-5-14-10/h1-6,14H,(H,15,16)
InChIKeyQJTRGVPSDZFOBH-UHFFFAOYSA-N
MW346.56 g/mol
LogP3.53
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide

N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 103767046) has the molecular formula C11H8ClIN2O and a molecular weight of 346.56 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide
PubChem CID103767046
Molecular FormulaC11H8ClIN2O
Molecular Weight346.56 g/mol
Exact Mass345.94
IUPAC NameN-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccc[nH]1
InChIInChI=1S/C11H8ClIN2O/c12-7-3-4-9(8(13)6-7)15-11(16)10-2-1-5-14-10/h1-6,14H,(H,15,16)
InChIKeyQJTRGVPSDZFOBH-UHFFFAOYSA-N
XLogP3.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 53.53
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-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide
CID 103766830
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
N-(2-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210810
4-tert-butyl-N-(4-chloro-2-iodophenyl)benzamide
CID 107640588
2,3-dichloro-N-(4-chloro-2-iodophenyl)benzamide
CID 103766641
N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
CID 107626246
N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480984
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
N-(3-iodophenyl)-1H-pyrrole-2-carboxamide
CID 51210999
N-(4-chloro-2-iodophenyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 107640576

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide (CID 103767046) is N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(Cl)cc1I)c1ccc[nH]1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is QJTRGVPSDZFOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClIN2O/c12-7-3-4-9(8(13)6-7)15-11(16)10-2-1-5-14-10/h1-6,14H,(H,15,16).
What are the key properties of N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide?
N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 346.56 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103767046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).