4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide

C15H11BrN2O2 — CID 60598960

IUPAC4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide
SMILESN#CCc1ccc(NC(=O)c2ccc(Br)cc2O)cc1
InChIInChI=1S/C15H11BrN2O2/c16-11-3-6-13(14(19)9-11)15(20)18-12-4-1-10(2-5-12)7-8-17/h1-6,9,19H,7H2,(H,18,20)
InChIKeyUKSXBGOPFOBRFR-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.47
Rot. Bonds3

About 4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide

4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide (PubChem CID 60598960) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide
PubChem CID60598960
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide
SMILESN#CCc1ccc(NC(=O)c2ccc(Br)cc2O)cc1
InChIInChI=1S/C15H11BrN2O2/c16-11-3-6-13(14(19)9-11)15(20)18-12-4-1-10(2-5-12)7-8-17/h1-6,9,19H,7H2,(H,18,20)
InChIKeyUKSXBGOPFOBRFR-UHFFFAOYSA-N
XLogP3.47
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-(cyanomethyl)phenyl]-5-iodobenzamide
CID 103989008
N-[4-(cyanomethyl)phenyl]-3,4-dihydroxybenzamide
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CID 47435970
4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide
CID 55210646
4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793271
N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 60682495
4-bromo-N-[(4-cyanophenyl)methyl]-2-hydroxybenzamide
CID 47466194
1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide
CID 33325210
4-bromo-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812192
N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide
CID 107726026
N-[4-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]azepane-1-carboxamide
CID 56569590
4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 80966309

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide (CID 60598960) is 4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide is N#CCc1ccc(NC(=O)c2ccc(Br)cc2O)cc1.
What is the InChIKey of 4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide?
The InChIKey is UKSXBGOPFOBRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c16-11-3-6-13(14(19)9-11)15(20)18-12-4-1-10(2-5-12)7-8-17/h1-6,9,19H,7H2,(H,18,20).
What are the key properties of 4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide?
4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide has a molecular weight of 331.17 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 60598960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).