1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide

C13H13IN2O — CID 61400251

IUPAC1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C13H13IN2O/c1-2-16-9-3-4-12(16)13(17)15-11-7-5-10(14)6-8-11/h3-9H,2H2,1H3,(H,15,17)
InChIKeyROAODEHIKJPDNV-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.36
Rot. Bonds3

About 1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide

1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide (PubChem CID 61400251) has the molecular formula C13H13IN2O and a molecular weight of 340.16 g/mol. Its IUPAC name is 1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
PubChem CID61400251
Molecular FormulaC13H13IN2O
Molecular Weight340.16 g/mol
Exact Mass340.01
IUPAC Name1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C13H13IN2O/c1-2-16-9-3-4-12(16)13(17)15-11-7-5-10(14)6-8-11/h3-9H,2H2,1H3,(H,15,17)
InChIKeyROAODEHIKJPDNV-UHFFFAOYSA-N
XLogP3.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.36
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

methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate
CID 43638981
N-(2-chloro-4-iodophenyl)-1-ethylpyrrole-2-carboxamide
CID 107606836
N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
CID 4791148
2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 61398408
N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide
CID 43639066
2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325005
2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325224
1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
CID 63931240
3,6-dichloro-2-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 107047837
N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 62908256
N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107675583
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide (CID 61400251) is 1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide is CCn1cccc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide?
The InChIKey is ROAODEHIKJPDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O/c1-2-16-9-3-4-12(16)13(17)15-11-7-5-10(14)6-8-11/h3-9H,2H2,1H3,(H,15,17).
What are the key properties of 1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide?
1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide has a molecular weight of 340.16 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61400251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).