4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide

C13H12FIN2O — CID 103713400

IUPAC4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CNC(=O)c1ccc(F)cc1I
InChIInChI=1S/C13H12FIN2O/c1-17-6-2-3-10(17)8-16-13(18)11-5-4-9(14)7-12(11)15/h2-7H,8H2,1H3,(H,16,18)
InChIKeyPKUYHFWUTFJYEY-UHFFFAOYSA-N
MW358.15 g/mol
LogP2.70
Rot. Bonds3

About 4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide

4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide (PubChem CID 103713400) has the molecular formula C13H12FIN2O and a molecular weight of 358.15 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide
PubChem CID103713400
Molecular FormulaC13H12FIN2O
Molecular Weight358.15 g/mol
Exact Mass358.00
IUPAC Name4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CNC(=O)c1ccc(F)cc1I
InChIInChI=1S/C13H12FIN2O/c1-17-6-2-3-10(17)8-16-13(18)11-5-4-9(14)7-12(11)15/h2-7H,8H2,1H3,(H,16,18)
InChIKeyPKUYHFWUTFJYEY-UHFFFAOYSA-N
XLogP2.70
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.15
LogP ≤ 52.70
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

2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
CID 103713431
4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113232081
2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473301
3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
CID 106415778
2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 21234303
N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106422181
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide
CID 148872611
3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid
CID 115596361
N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide
CID 106547719

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide (CID 103713400) is 4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide is Cn1cccc1CNC(=O)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The InChIKey is PKUYHFWUTFJYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FIN2O/c1-17-6-2-3-10(17)8-16-13(18)11-5-4-9(14)7-12(11)15/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of 4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide has a molecular weight of 358.15 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 103713400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).