5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide

C14H9BrN2O2 — CID 3849798

IUPAC5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H9BrN2O2/c15-10-3-6-13(18)12(7-10)14(19)17-11-4-1-9(8-16)2-5-11/h1-7,18H,(H,17,19)
InChIKeyBQHRPEUBRUDANE-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.28
Rot. Bonds2

About 5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide

5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide (PubChem CID 3849798) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide
PubChem CID3849798
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H9BrN2O2/c15-10-3-6-13(18)12(7-10)14(19)17-11-4-1-9(8-16)2-5-11/h1-7,18H,(H,17,19)
InChIKeyBQHRPEUBRUDANE-UHFFFAOYSA-N
XLogP3.28
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4',5-Tribromosalicylanilide
CID 14868
Bromochlorosalicylanilide
CID 77254
Salicylanilide
CID 6872
Fluorophene
CID 20906
5-Bromo-N-(4-bromophenyl)-2-hydroxybenzamide
CID 14839
Resorantel
CID 65696
Metabromsalan
CID 17404
2-hydroxy-N-(p-tolyl)benzamide
CID 478805
4,5-Dibromosalicylanilide
CID 90538
3,4,5-Tribromosalicylanilide
CID 90539
3-bromo-N-(4-carbamimidoylphenyl)-2-hydroxy-5-methylbenzamide
CID 23646622
4'-Bromosalicylanilide
CID 75817

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide (CID 3849798) is 5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide is N#Cc1ccc(NC(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of 5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide?
The InChIKey is BQHRPEUBRUDANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-10-3-6-13(18)12(7-10)14(19)17-11-4-1-9(8-16)2-5-11/h1-7,18H,(H,17,19).
What are the key properties of 5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide?
5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide has a molecular weight of 317.14 g/mol, XLogP of 3.28, 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-cyanophenyl)-2-hydroxybenzamide is sourced from PubChem (CID 3849798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).