N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide

C15H11FN2O3 — CID 107014799

IUPACN-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide
SMILESN#CCOc1ccccc1NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C15H11FN2O3/c16-10-5-6-11(13(19)9-10)15(20)18-12-3-1-2-4-14(12)21-8-7-17/h1-6,9,19H,8H2,(H,18,20)
InChIKeyYCJHGFRPYTXEPX-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide

N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide (PubChem CID 107014799) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide
PubChem CID107014799
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC NameN-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide
SMILESN#CCOc1ccccc1NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C15H11FN2O3/c16-10-5-6-11(13(19)9-10)15(20)18-12-3-1-2-4-14(12)21-8-7-17/h1-6,9,19H,8H2,(H,18,20)
InChIKeyYCJHGFRPYTXEPX-UHFFFAOYSA-N
XLogP2.69
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
CID 43369387
N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide
CID 103513721
N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830087
N-(2-aminophenyl)-4-fluoro-2-hydroxybenzamide
CID 107012970
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
N-(2,3-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888089
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016183
4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide
CID 11232437
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
N-[2-(cyanomethoxy)phenyl]furan-3-carboxamide
CID 43369380
5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 62958811
N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide
CID 65215145

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide (CID 107014799) is N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide is N#CCOc1ccccc1NC(=O)c1ccc(F)cc1O.
What is the InChIKey of N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide?
The InChIKey is YCJHGFRPYTXEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-10-5-6-11(13(19)9-10)15(20)18-12-3-1-2-4-14(12)21-8-7-17/h1-6,9,19H,8H2,(H,18,20).
What are the key properties of N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide?
N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide has a molecular weight of 286.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 107014799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).