2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide

C17H13IN2O — CID 60732619

IUPAC2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)c1ccccc1I
InChIInChI=1S/C17H13IN2O/c18-16-9-2-1-8-15(16)17(21)19-13-6-5-7-14(12-13)20-10-3-4-11-20/h1-12H,(H,19,21)
InChIKeyJCSYTNRPAIEKSQ-UHFFFAOYSA-N
MW388.21 g/mol
LogP4.33
Rot. Bonds3

About 2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide

2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide (PubChem CID 60732619) has the molecular formula C17H13IN2O and a molecular weight of 388.21 g/mol. Its IUPAC name is 2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide
PubChem CID60732619
Molecular FormulaC17H13IN2O
Molecular Weight388.21 g/mol
Exact Mass388.01
IUPAC Name2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)c1ccccc1I
InChIInChI=1S/C17H13IN2O/c18-16-9-2-1-8-15(16)17(21)19-13-6-5-7-14(12-13)20-10-3-4-11-20/h1-12H,(H,19,21)
InChIKeyJCSYTNRPAIEKSQ-UHFFFAOYSA-N
XLogP4.33
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethynylphenyl)-2-iodobenzamide
CID 24676235
2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729880
6-oxo-N-(3-pyrrol-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 61242832
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
CID 1313720
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide
CID 47158335
N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide
CID 5090164
3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide
CID 61248263
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide
CID 47093125
N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
CID 27826709

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide?
The IUPAC name of 2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide (CID 60732619) is 2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide.
What is the SMILES notation for 2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide?
The canonical SMILES for 2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide is O=C(Nc1cccc(-n2cccc2)c1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide?
The InChIKey is JCSYTNRPAIEKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2O/c18-16-9-2-1-8-15(16)17(21)19-13-6-5-7-14(12-13)20-10-3-4-11-20/h1-12H,(H,19,21).
What are the key properties of 2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide?
2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide has a molecular weight of 388.21 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide is sourced from PubChem (CID 60732619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).