5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide

C14H7BrFIN2O — CID 103820409

IUPAC5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)ccc2I)c(F)c1
InChIInChI=1S/C14H7BrFIN2O/c15-9-2-3-12(17)10(6-9)14(20)19-13-4-1-8(7-18)5-11(13)16/h1-6H,(H,19,20)
InChIKeyWPDAHZPINTXPAP-UHFFFAOYSA-N
MW445.03 g/mol
LogP4.32
Rot. Bonds2

About 5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide

5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide (PubChem CID 103820409) has the molecular formula C14H7BrFIN2O and a molecular weight of 445.03 g/mol. Its IUPAC name is 5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
PubChem CID103820409
Molecular FormulaC14H7BrFIN2O
Molecular Weight445.03 g/mol
Exact Mass443.88
IUPAC Name5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)ccc2I)c(F)c1
InChIInChI=1S/C14H7BrFIN2O/c15-9-2-3-12(17)10(6-9)14(20)19-13-4-1-8(7-18)5-11(13)16/h1-6H,(H,19,20)
InChIKeyWPDAHZPINTXPAP-UHFFFAOYSA-N
XLogP4.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.03
LogP ≤ 54.32
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-bromo-N-(4-cyano-2-fluorophenyl)-2-sulfanylbenzamide
CID 107033218
2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
CID 103820442
5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide
CID 51057545
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
3-bromo-N-(4-cyano-2-fluorophenyl)-5-methylbenzamide
CID 104851539
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
CID 34845392
N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
CID 107688649
3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide
CID 115930631
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975
5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64793128

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide?
The IUPAC name of 5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide (CID 103820409) is 5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide is N#Cc1ccc(NC(=O)c2cc(Br)ccc2I)c(F)c1.
What is the InChIKey of 5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide?
The InChIKey is WPDAHZPINTXPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFIN2O/c15-9-2-3-12(17)10(6-9)14(20)19-13-4-1-8(7-18)5-11(13)16/h1-6H,(H,19,20).
What are the key properties of 5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide?
5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide has a molecular weight of 445.03 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide is sourced from PubChem (CID 103820409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).