N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide

C14H10FN3O2 — CID 115298380

IUPACN-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(F)ccc2O)c(N)c1
InChIInChI=1S/C14H10FN3O2/c15-9-2-4-13(19)10(6-9)14(20)18-12-3-1-8(7-16)5-11(12)17/h1-6,19H,17H2,(H,18,20)
InChIKeyOKKYRHFBJWRHLZ-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.24
Rot. Bonds2

About N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide

N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 115298380) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide
PubChem CID115298380
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC NameN-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(F)ccc2O)c(N)c1
InChIInChI=1S/C14H10FN3O2/c15-9-2-4-13(19)10(6-9)14(20)18-12-3-1-8(7-16)5-11(12)17/h1-6,19H,17H2,(H,18,20)
InChIKeyOKKYRHFBJWRHLZ-UHFFFAOYSA-N
XLogP2.24
TPSA99.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
N-(2-amino-4-cyanophenyl)-2-bromo-5-fluorobenzamide
CID 78965687
N-(2-amino-5-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298392
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722029
N-(2-amino-4-cyanophenyl)-3-bromo-5-fluorobenzamide
CID 78965489
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 78965367
N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide
CID 107948846
N-(4-bromo-2-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298780
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide (CID 115298380) is N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide is N#Cc1ccc(NC(=O)c2cc(F)ccc2O)c(N)c1.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is OKKYRHFBJWRHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-9-2-4-13(19)10(6-9)14(20)18-12-3-1-8(7-16)5-11(12)17/h1-6,19H,17H2,(H,18,20).
What are the key properties of N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide?
N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 271.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115298380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).