N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide

C14H9FN2O3 — CID 107722029

IUPACN-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H9FN2O3/c15-9-1-3-12(8(5-9)7-16)17-14(20)11-6-10(18)2-4-13(11)19/h1-6,18-19H,(H,17,20)
InChIKeyRGADCSHRSQTXIZ-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.36
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide

N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide (PubChem CID 107722029) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
PubChem CID107722029
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC NameN-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H9FN2O3/c15-9-1-3-12(8(5-9)7-16)17-14(20)11-6-10(18)2-4-13(11)19/h1-6,18-19H,(H,17,20)
InChIKeyRGADCSHRSQTXIZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-2,5-dihydroxybenzamide
CID 107721971
3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
CID 82015912
N-(4-bromo-2-cyanophenyl)-4-fluoro-2-hydroxybenzamide
CID 107014840
N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724057
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 82682867
N-(3,4-dicyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 103944404
N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 79953368
N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298380
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide (CID 107722029) is N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide is N#Cc1cc(F)ccc1NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide?
The InChIKey is RGADCSHRSQTXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-9-1-3-12(8(5-9)7-16)17-14(20)11-6-10(18)2-4-13(11)19/h1-6,18-19H,(H,17,20).
What are the key properties of N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide?
N-(2-cyano-4-fluorophenyl)-2,5-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-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107722029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).