2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide

C14H10FIN2O2 — CID 152583206

IUPAC2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1-c1ccc(I)c(F)c1
InChIInChI=1S/C14H10FIN2O2/c15-10-6-7(4-5-11(10)16)12-8(13(17)19)2-1-3-9(12)14(18)20/h1-6H,(H2,17,19)(H2,18,20)
InChIKeyYTXJSNZZFQJCJO-UHFFFAOYSA-N
MW384.15 g/mol
LogP2.30
Rot. Bonds3

About 2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide

2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide (PubChem CID 152583206) has the molecular formula C14H10FIN2O2 and a molecular weight of 384.15 g/mol. Its IUPAC name is 2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide
PubChem CID152583206
Molecular FormulaC14H10FIN2O2
Molecular Weight384.15 g/mol
Exact Mass383.98
IUPAC Name2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1-c1ccc(I)c(F)c1
InChIInChI=1S/C14H10FIN2O2/c15-10-6-7(4-5-11(10)16)12-8(13(17)19)2-1-3-9(12)14(18)20/h1-6H,(H2,17,19)(H2,18,20)
InChIKeyYTXJSNZZFQJCJO-UHFFFAOYSA-N
XLogP2.30
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.15
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-fluorophenyl)benzene-1,3-dicarboxamide
CID 152528464
2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide
CID 150291896
2-iodobenzamide
CID 160670857
2-amino-3-iodobenzamide
CID 67497450
4-(2-carbamoylphenyl)-2-fluorobenzoic acid
CID 150992694
2-fluoro-5-(3-fluorophenyl)benzamide
CID 46312277
2-fluoro-4-(2-fluorophenyl)benzamide
CID 46312270
3-(4-chloro-3-fluorophenyl)-2-methylbenzamide
CID 67230127
2-fluorobenzamide;dihydrochloride
CID 22563899
ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen
CID 143768800
2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide
CID 175257872
5-hydroxy-2-iodobenzamide;2-iodobenzamide
CID 174940863

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide (CID 152583206) is 2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(N)=O)c1-c1ccc(I)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide?
The InChIKey is YTXJSNZZFQJCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIN2O2/c15-10-6-7(4-5-11(10)16)12-8(13(17)19)2-1-3-9(12)14(18)20/h1-6H,(H2,17,19)(H2,18,20).
What are the key properties of 2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide?
2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide has a molecular weight of 384.15 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 152583206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).