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

C14H13FN2O2 — CID 107075078

IUPAC4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)c(O)c1)c1ccccc1F
InChIInChI=1S/C14H13FN2O2/c1-17(12-5-3-2-4-10(12)15)14(19)9-6-7-11(16)13(18)8-9/h2-8,18H,16H2,1H3
InChIKeyDYVYKUUYAALMSJ-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.39
Rot. Bonds2

About 4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide

4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide (PubChem CID 107075078) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide
PubChem CID107075078
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)c(O)c1)c1ccccc1F
InChIInChI=1S/C14H13FN2O2/c1-17(12-5-3-2-4-10(12)15)14(19)9-6-7-11(16)13(18)8-9/h2-8,18H,16H2,1H3
InChIKeyDYVYKUUYAALMSJ-UHFFFAOYSA-N
XLogP2.39
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-3,5-dihydroxy-N-methylbenzamide
CID 107703878
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
CID 107074457
N-(2-fluorophenyl)-4-hydrazinyl-N-methylbenzamide
CID 62249119
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
N-(2-fluorophenyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 113257484
3,5-difluoro-N-(2-fluorophenyl)-N-methyl-4-(methylamino)benzamide
CID 63185745
5-amino-2-bromo-4-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 62815620
2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide
CID 62161761
3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 107728489
4-amino-3-(2-fluoro-N-methylanilino)benzoic acid
CID 82785779
N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956769
N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide
CID 107727847

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide?
The IUPAC name of 4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide (CID 107075078) is 4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide is CN(C(=O)c1ccc(N)c(O)c1)c1ccccc1F.
What is the InChIKey of 4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide?
The InChIKey is DYVYKUUYAALMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-17(12-5-3-2-4-10(12)15)14(19)9-6-7-11(16)13(18)8-9/h2-8,18H,16H2,1H3.
What are the key properties of 4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide?
4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide has a molecular weight of 260.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107075078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).