2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide

C12H13F3N2O3 — CID 87119900

IUPAC2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide
SMILESCC(C)(c1ccc(C(N)=O)c(C(=O)NO)c1)C(F)(F)F
InChIInChI=1S/C12H13F3N2O3/c1-11(2,12(13,14)15)6-3-4-7(9(16)18)8(5-6)10(19)17-20/h3-5,20H,1-2H3,(H2,16,18)(H,17,19)
InChIKeyWXXYKEVTMUOBRY-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.74
Rot. Bonds3

About 2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide

2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide (PubChem CID 87119900) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide
PubChem CID87119900
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide
SMILESCC(C)(c1ccc(C(N)=O)c(C(=O)NO)c1)C(F)(F)F
InChIInChI=1S/C12H13F3N2O3/c1-11(2,12(13,14)15)6-3-4-7(9(16)18)8(5-6)10(19)17-20/h3-5,20H,1-2H3,(H2,16,18)(H,17,19)
InChIKeyWXXYKEVTMUOBRY-UHFFFAOYSA-N
XLogP1.74
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide?
The IUPAC name of 2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide (CID 87119900) is 2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide?
The canonical SMILES for 2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide is CC(C)(c1ccc(C(N)=O)c(C(=O)NO)c1)C(F)(F)F.
What is the InChIKey of 2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide?
The InChIKey is WXXYKEVTMUOBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-11(2,12(13,14)15)6-3-4-7(9(16)18)8(5-6)10(19)17-20/h3-5,20H,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide?
2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide has a molecular weight of 290.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 87119900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).