N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide

C15H11FN2O2 — CID 104919730

IUPACN-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESN#CC(NC(=O)c1c(O)cccc1F)c1ccccc1
InChIInChI=1S/C15H11FN2O2/c16-11-7-4-8-13(19)14(11)15(20)18-12(9-17)10-5-2-1-3-6-10/h1-8,12,19H,(H,18,20)
InChIKeyWBKIQRIRZAZWGD-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.53
Rot. Bonds3

About N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide

N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 104919730) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide
PubChem CID104919730
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC NameN-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESN#CC(NC(=O)c1c(O)cccc1F)c1ccccc1
InChIInChI=1S/C15H11FN2O2/c16-11-7-4-8-13(19)14(11)15(20)18-12(9-17)10-5-2-1-3-6-10/h1-8,12,19H,(H,18,20)
InChIKeyWBKIQRIRZAZWGD-UHFFFAOYSA-N
XLogP2.53
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 100615787
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide
CID 60717552
N-[cyano-(4-fluorophenyl)methyl]benzamide
CID 78631246
N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 104917326
2-fluoro-6-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 104920211
1-[cyano(phenyl)methyl]-3-(4-fluorophenyl)urea
CID 60706067
4-cyano-N-[cyano(phenyl)methyl]benzamide
CID 60659354
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
N-[cyano(phenyl)methyl]-2-methylbenzamide
CID 60659356
2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide
CID 103605980

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide (CID 104919730) is N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide is N#CC(NC(=O)c1c(O)cccc1F)c1ccccc1.
What is the InChIKey of N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is WBKIQRIRZAZWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-11-7-4-8-13(19)14(11)15(20)18-12(9-17)10-5-2-1-3-6-10/h1-8,12,19H,(H,18,20).
What are the key properties of N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide?
N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 270.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104919730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).