N-[(3-fluorophenyl)methyl]-2-iodobenzamide

C14H11FINO — CID 46447840

IUPACN-[(3-fluorophenyl)methyl]-2-iodobenzamide
SMILESO=C(NCc1cccc(F)c1)c1ccccc1I
InChIInChI=1S/C14H11FINO/c15-11-5-3-4-10(8-11)9-17-14(18)12-6-1-2-7-13(12)16/h1-8H,9H2,(H,17,18)
InChIKeyKJCLXCBTXPGKFK-UHFFFAOYSA-N
MW355.15 g/mol
LogP3.36
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-2-iodobenzamide

N-[(3-fluorophenyl)methyl]-2-iodobenzamide (PubChem CID 46447840) has the molecular formula C14H11FINO and a molecular weight of 355.15 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-iodobenzamide
PubChem CID46447840
Molecular FormulaC14H11FINO
Molecular Weight355.15 g/mol
Exact Mass354.99
IUPAC NameN-[(3-fluorophenyl)methyl]-2-iodobenzamide
SMILESO=C(NCc1cccc(F)c1)c1ccccc1I
InChIInChI=1S/C14H11FINO/c15-11-5-3-4-10(8-11)9-17-14(18)12-6-1-2-7-13(12)16/h1-8H,9H2,(H,17,18)
InChIKeyKJCLXCBTXPGKFK-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3-fluorophenyl)methyl]-2-iodobenzamide 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

2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
2-iodo-N-[(3-nitrophenyl)methyl]benzamide
CID 47450330
N-[(3-fluorophenyl)methyl]-2-propan-2-ylsulfanylbenzamide
CID 53285873
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-iodobenzamide
CID 76932753
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
CID 47436066
2,4-difluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292194
4-bromo-N-[(3-fluorophenyl)methyl]-2-sulfanylbenzamide
CID 107022076
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-iodobenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-iodobenzamide (CID 46447840) is N-[(3-fluorophenyl)methyl]-2-iodobenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-iodobenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-iodobenzamide is O=C(NCc1cccc(F)c1)c1ccccc1I.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-iodobenzamide?
The InChIKey is KJCLXCBTXPGKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FINO/c15-11-5-3-4-10(8-11)9-17-14(18)12-6-1-2-7-13(12)16/h1-8H,9H2,(H,17,18).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-iodobenzamide?
N-[(3-fluorophenyl)methyl]-2-iodobenzamide has a molecular weight of 355.15 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-iodobenzamide is sourced from PubChem (CID 46447840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).