2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide

C11H11F3N2O4 — CID 104862632

IUPAC2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
SMILESCC(CC(F)(F)F)NC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C11H11F3N2O4/c1-6(5-11(12,13)14)15-10(18)7-3-2-4-8(9(7)17)16(19)20/h2-4,6,17H,5H2,1H3,(H,15,18)
InChIKeyURPOHJORBAYVQV-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.37
Rot. Bonds4

About 2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide

2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide (PubChem CID 104862632) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
PubChem CID104862632
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
SMILESCC(CC(F)(F)F)NC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C11H11F3N2O4/c1-6(5-11(12,13)14)15-10(18)7-3-2-4-8(9(7)17)16(19)20/h2-4,6,17H,5H2,1H3,(H,15,18)
InChIKeyURPOHJORBAYVQV-UHFFFAOYSA-N
XLogP2.37
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-nitro-N-pent-4-en-2-ylbenzamide
CID 103800269
N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide
CID 102741844
2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
CID 99717080
2-hydroxy-N-(2-methylsulfanylpropyl)-3-nitrobenzamide
CID 113322559
N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide
CID 103799854
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
2-methyl-3-nitro-N-[(2S)-pentan-2-yl]benzamide
CID 879627
N-[(2R)-1-aminopropan-2-yl]-2-methyl-3-nitrobenzamide
CID 98540266
4-chloro-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104855063
4-bromo-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854996
2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 20715419

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide (CID 104862632) is 2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide is CC(CC(F)(F)F)NC(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The InChIKey is URPOHJORBAYVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-6(5-11(12,13)14)15-10(18)7-3-2-4-8(9(7)17)16(19)20/h2-4,6,17H,5H2,1H3,(H,15,18).
What are the key properties of 2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide?
2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide has a molecular weight of 292.21 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide is sourced from PubChem (CID 104862632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).