2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide

C12H13F3N2O3 — CID 177387060

IUPAC2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide
SMILESC/C(CC(O)C(F)(F)F)=N\NC(=O)c1ccccc1O
InChIInChI=1S/C12H13F3N2O3/c1-7(6-10(19)12(13,14)15)16-17-11(20)8-4-2-3-5-9(8)18/h2-5,10,18-19H,6H2,1H3,(H,17,20)/b16-7+
InChIKeyYBCREEZWQINRHC-FRKPEAEDSA-N
MW290.24 g/mol
LogP1.81
Rot. Bonds4

About 2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide

2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide (PubChem CID 177387060) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide
PubChem CID177387060
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide
SMILESC/C(CC(O)C(F)(F)F)=N\NC(=O)c1ccccc1O
InChIInChI=1S/C12H13F3N2O3/c1-7(6-10(19)12(13,14)15)16-17-11(20)8-4-2-3-5-9(8)18/h2-5,10,18-19H,6H2,1H3,(H,17,20)/b16-7+
InChIKeyYBCREEZWQINRHC-FRKPEAEDSA-N
XLogP1.81
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide
CID 4287242
2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9077909
2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5371078
N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 3390969
4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide
CID 7430588
2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide
CID 141408132
N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
CID 3108558
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide (CID 177387060) is 2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide is C/C(CC(O)C(F)(F)F)=N\NC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide?
The InChIKey is YBCREEZWQINRHC-FRKPEAEDSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-7(6-10(19)12(13,14)15)16-17-11(20)8-4-2-3-5-9(8)18/h2-5,10,18-19H,6H2,1H3,(H,17,20)/b16-7+.
What are the key properties of 2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide?
2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide has a molecular weight of 290.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide is sourced from PubChem (CID 177387060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).