N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide

C14H9FN2O3 — CID 107688649

IUPACN-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2c(O)cccc2O)c(F)c1
InChIInChI=1S/C14H9FN2O3/c15-9-6-8(7-16)4-5-10(9)17-14(20)13-11(18)2-1-3-12(13)19/h1-6,18-19H,(H,17,20)
InChIKeyAZLAACKYOPDNTN-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.36
Rot. Bonds2

About N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide

N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide (PubChem CID 107688649) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
PubChem CID107688649
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC NameN-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2c(O)cccc2O)c(F)c1
InChIInChI=1S/C14H9FN2O3/c15-9-6-8(7-16)4-5-10(9)17-14(20)13-11(18)2-1-3-12(13)19/h1-6,18-19H,(H,17,20)
InChIKeyAZLAACKYOPDNTN-UHFFFAOYSA-N
XLogP2.36
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
CID 107808194
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide
CID 115930631
N-(4-cyanophenyl)-2-fluoro-6-hydroxybenzamide
CID 104917041
N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide
CID 107687505
5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
CID 103820409
2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
CID 103820442
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975
N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107033219
N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide
CID 103820427

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide (CID 107688649) is N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide is N#Cc1ccc(NC(=O)c2c(O)cccc2O)c(F)c1.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide?
The InChIKey is AZLAACKYOPDNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-9-6-8(7-16)4-5-10(9)17-14(20)13-11(18)2-1-3-12(13)19/h1-6,18-19H,(H,17,20).
What are the key properties of N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide?
N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide has a molecular weight of 272.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107688649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).