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

C13H11FN2O3 — CID 114343189

IUPACN-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide
SMILESNc1ccc(NC(=O)c2cccc(O)c2O)c(F)c1
InChIInChI=1S/C13H11FN2O3/c14-9-6-7(15)4-5-10(9)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,15H2,(H,16,19)
InChIKeySKAYBOWQHGMHKS-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.07
Rot. Bonds2

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

N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide (PubChem CID 114343189) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide
PubChem CID114343189
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC NameN-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide
SMILESNc1ccc(NC(=O)c2cccc(O)c2O)c(F)c1
InChIInChI=1S/C13H11FN2O3/c14-9-6-7(15)4-5-10(9)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,15H2,(H,16,19)
InChIKeySKAYBOWQHGMHKS-UHFFFAOYSA-N
XLogP2.07
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343199
N-(2,3-difluorophenyl)-2,3-dihydroxybenzamide
CID 114344008
N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide
CID 172894549
N-(4-amino-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343222
N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343963
N-(4-amino-2-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62831114
N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
CID 107626246
N-(2-carbamothioyl-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343600
5-amino-2-fluoro-N-(2-fluorophenyl)benzamide
CID 43510738
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130
4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
CID 107794653
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide (CID 114343189) is N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide is Nc1ccc(NC(=O)c2cccc(O)c2O)c(F)c1.
What is the InChIKey of N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide?
The InChIKey is SKAYBOWQHGMHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c14-9-6-7(15)4-5-10(9)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,15H2,(H,16,19).
What are the key properties of N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide?
N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide has a molecular weight of 262.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114343189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).