2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide

C16H15FN2O4 — CID 71907229

IUPAC2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1
InChIInChI=1S/C16H15FN2O4/c1-16(2,10-4-3-5-11(17)8-10)15(21)18-13-9-12(19(22)23)6-7-14(13)20/h3-9,20H,1-2H3,(H,18,21)
InChIKeyVJQDYLNTBLNIQI-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.36
Rot. Bonds4

About 2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide

2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide (PubChem CID 71907229) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide
PubChem CID71907229
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1
InChIInChI=1S/C16H15FN2O4/c1-16(2,10-4-3-5-11(17)8-10)15(21)18-13-9-12(19(22)23)6-7-14(13)20/h3-9,20H,1-2H3,(H,18,21)
InChIKeyVJQDYLNTBLNIQI-UHFFFAOYSA-N
XLogP3.36
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-hydroxy-5-nitrophenyl)-2,2,3-trimethylbutanamide
CID 107744863
(E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
CID 84554354
2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 107744593
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 17100127
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944777
2-(2-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103602366
3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 106548159
4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 3323180
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 5069648
N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide (CID 71907229) is 2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide?
The InChIKey is VJQDYLNTBLNIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-16(2,10-4-3-5-11(17)8-10)15(21)18-13-9-12(19(22)23)6-7-14(13)20/h3-9,20H,1-2H3,(H,18,21).
What are the key properties of 2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide?
2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide has a molecular weight of 318.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 71907229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).