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

C15H15IN2O — CID 114609194

IUPAC1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1cccn1C1CCC1
InChIInChI=1S/C15H15IN2O/c16-11-6-8-12(9-7-11)17-15(19)14-5-2-10-18(14)13-3-1-4-13/h2,5-10,13H,1,3-4H2,(H,17,19)
InChIKeyHPARJMSBSSEFRK-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.07
Rot. Bonds3

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

1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide (PubChem CID 114609194) has the molecular formula C15H15IN2O and a molecular weight of 366.20 g/mol. Its IUPAC name is 1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
PubChem CID114609194
Molecular FormulaC15H15IN2O
Molecular Weight366.20 g/mol
Exact Mass366.02
IUPAC Name1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1cccn1C1CCC1
InChIInChI=1S/C15H15IN2O/c16-11-6-8-12(9-7-11)17-15(19)14-5-2-10-18(14)13-3-1-4-13/h2,5-10,13H,1,3-4H2,(H,17,19)
InChIKeyHPARJMSBSSEFRK-UHFFFAOYSA-N
XLogP4.07
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.07
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

4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639269
5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114609051
N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609165
N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610041
N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610369
1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide
CID 110007275
N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
CID 4791148
1-cyclopropyl-N-(3-hydroxyphenyl)pyrrole-2-carboxamide
CID 43639337
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609306
1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide
CID 86770861

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide (CID 114609194) is 1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide is O=C(Nc1ccc(I)cc1)c1cccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide?
The InChIKey is HPARJMSBSSEFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O/c16-11-6-8-12(9-7-11)17-15(19)14-5-2-10-18(14)13-3-1-4-13/h2,5-10,13H,1,3-4H2,(H,17,19).
What are the key properties of 1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide?
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide has a molecular weight of 366.20 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).