N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide

C14H13FN2O2 — CID 107013042

IUPACN-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1c(O)cccc1F)c1ccc(N)cc1
InChIInChI=1S/C14H13FN2O2/c1-17(10-7-5-9(16)6-8-10)14(19)13-11(15)3-2-4-12(13)18/h2-8,18H,16H2,1H3
InChIKeyUYOKBOZVZMIHKD-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.39
Rot. Bonds2

About N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide

N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide (PubChem CID 107013042) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
PubChem CID107013042
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1c(O)cccc1F)c1ccc(N)cc1
InChIInChI=1S/C14H13FN2O2/c1-17(10-7-5-9(16)6-8-10)14(19)13-11(15)3-2-4-12(13)18/h2-8,18H,16H2,1H3
InChIKeyUYOKBOZVZMIHKD-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015209
2,6-difluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739175
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 107013078
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide
CID 113251002
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
2-bromo-6-fluoro-N-methyl-N-phenylbenzamide
CID 115678224
2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 104917662
N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107014890
2,3-difluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 55099719

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The IUPAC name of N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide (CID 107013042) is N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide is CN(C(=O)c1c(O)cccc1F)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The InChIKey is UYOKBOZVZMIHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-17(10-7-5-9(16)6-8-10)14(19)13-11(15)3-2-4-12(13)18/h2-8,18H,16H2,1H3.
What are the key properties of N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
N-(4-aminophenyl)-2-fluoro-6-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 N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107013042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).