N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide

C14H9FN2O3 — CID 114343561

IUPACN-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide
SMILESN#Cc1cc(NC(=O)c2cccc(O)c2O)ccc1F
InChIInChI=1S/C14H9FN2O3/c15-11-5-4-9(6-8(11)7-16)17-14(20)10-2-1-3-12(18)13(10)19/h1-6,18-19H,(H,17,20)
InChIKeyIKNBAKVVUYLWEG-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.36
Rot. Bonds2

About N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide

N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide (PubChem CID 114343561) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide
PubChem CID114343561
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC NameN-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide
SMILESN#Cc1cc(NC(=O)c2cccc(O)c2O)ccc1F
InChIInChI=1S/C14H9FN2O3/c15-11-5-4-9(6-8(11)7-16)17-14(20)10-2-1-3-12(18)13(10)19/h1-6,18-19H,(H,17,20)
InChIKeyIKNBAKVVUYLWEG-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-cyano-4-fluorophenyl)-2-hydroxybenzamide
CID 62316486
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 115745574
N-(4-amino-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343222
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323580
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
CID 62318012
2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide
CID 81004502
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide
CID 103774874
N-(3-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78948945
N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
CID 62315615
N-(3,4-dicyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 103944404
N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide
CID 62316846

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide (CID 114343561) is N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide is N#Cc1cc(NC(=O)c2cccc(O)c2O)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide?
The InChIKey is IKNBAKVVUYLWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-11-5-4-9(6-8(11)7-16)17-14(20)10-2-1-3-12(18)13(10)19/h1-6,18-19H,(H,17,20).
What are the key properties of N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide?
N-(3-cyano-4-fluorophenyl)-2,3-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-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114343561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).