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

C14H13FN2O2 — CID 107075081

IUPAC2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(O)ccc1N)c1cccc(F)c1
InChIInChI=1S/C14H13FN2O2/c1-17(10-4-2-3-9(15)7-10)14(19)12-8-11(18)5-6-13(12)16/h2-8,18H,16H2,1H3
InChIKeyYCNZLWQLAVWNPI-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.39
Rot. Bonds2

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

2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide (PubChem CID 107075081) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
PubChem CID107075081
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(O)ccc1N)c1cccc(F)c1
InChIInChI=1S/C14H13FN2O2/c1-17(10-4-2-3-9(15)7-10)14(19)12-8-11(18)5-6-13(12)16/h2-8,18H,16H2,1H3
InChIKeyYCNZLWQLAVWNPI-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733144
2-amino-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733131
2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
CID 79722420
3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide
CID 112575829
N-(3-aminophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107013206
2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735649
2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide
CID 62002165
2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide
CID 81003545
2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
CID 63110478
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 114037685
2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 103774616
2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide
CID 115703339

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide?
The IUPAC name of 2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide (CID 107075081) is 2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide is CN(C(=O)c1cc(O)ccc1N)c1cccc(F)c1.
What is the InChIKey of 2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide?
The InChIKey is YCNZLWQLAVWNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-17(10-4-2-3-9(15)7-10)14(19)12-8-11(18)5-6-13(12)16/h2-8,18H,16H2,1H3.
What are the key properties of 2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide?
2-amino-N-(3-fluorophenyl)-5-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 2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107075081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).