N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide

C14H13FN2O2 — CID 107333857

IUPACN-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C14H13FN2O2/c1-8-12(3-2-4-13(8)18)14(19)17-11-6-9(15)5-10(16)7-11/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyQGGDOCHOWXHHPI-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.67
Rot. Bonds2

About N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide

N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide (PubChem CID 107333857) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide
PubChem CID107333857
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C14H13FN2O2/c1-8-12(3-2-4-13(8)18)14(19)17-11-6-9(15)5-10(16)7-11/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyQGGDOCHOWXHHPI-UHFFFAOYSA-N
XLogP2.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
N-(3-amino-5-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 107333935
N-(3-amino-5-fluorophenyl)-3-methylbenzamide
CID 107334074
N-(3-amino-5-fluorophenyl)benzamide
CID 107334043
N-(4-acetamidophenyl)-3-hydroxy-2-methylbenzamide
CID 82781425
5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 82808977
2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042
N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
2,3-difluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055067
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82827341
N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 107333812

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide (CID 107333857) is N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)Nc1cc(N)cc(F)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is QGGDOCHOWXHHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-12(3-2-4-13(8)18)14(19)17-11-6-9(15)5-10(16)7-11/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide?
N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 260.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107333857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).