5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide

C14H8BrIN2O2 — CID 51057545

IUPAC5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)ccc2O)c(I)c1
InChIInChI=1S/C14H8BrIN2O2/c15-9-2-4-13(19)10(6-9)14(20)18-12-3-1-8(7-17)5-11(12)16/h1-6,19H,(H,18,20)
InChIKeyQPAVYXXSHXJAHZ-UHFFFAOYSA-N
MW443.04 g/mol
LogP3.88
Rot. Bonds2

About 5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide

5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide (PubChem CID 51057545) has the molecular formula C14H8BrIN2O2 and a molecular weight of 443.04 g/mol. Its IUPAC name is 5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide
PubChem CID51057545
Molecular FormulaC14H8BrIN2O2
Molecular Weight443.04 g/mol
Exact Mass441.88
IUPAC Name5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)ccc2O)c(I)c1
InChIInChI=1S/C14H8BrIN2O2/c15-9-2-4-13(19)10(6-9)14(20)18-12-3-1-8(7-17)5-11(12)16/h1-6,19H,(H,18,20)
InChIKeyQPAVYXXSHXJAHZ-UHFFFAOYSA-N
XLogP3.88
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.04
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
CID 103820409
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298380
5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide
CID 104848978
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
5-bromo-N-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 2804653
N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
CID 107721998
4-bromo-N-(4-cyano-2-fluorophenyl)-2-sulfanylbenzamide
CID 107033218
N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731654
5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide
CID 86273414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide (CID 51057545) is 5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide is N#Cc1ccc(NC(=O)c2cc(Br)ccc2O)c(I)c1.
What is the InChIKey of 5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide?
The InChIKey is QPAVYXXSHXJAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrIN2O2/c15-9-2-4-13(19)10(6-9)14(20)18-12-3-1-8(7-17)5-11(12)16/h1-6,19H,(H,18,20).
What are the key properties of 5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide?
5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide has a molecular weight of 443.04 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide is sourced from PubChem (CID 51057545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).