3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide

C10H9F3N2O2 — CID 3442645

IUPAC3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide
SMILESCC(=NNC(=O)c1cccc(O)c1)C(F)(F)F
InChIInChI=1S/C10H9F3N2O2/c1-6(10(11,12)13)14-15-9(17)7-3-2-4-8(16)5-7/h2-5,16H,1H3,(H,15,17)
InChIKeyDQZFGWJTBJBOGG-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.06
Rot. Bonds2

About 3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide

3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide (PubChem CID 3442645) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide
PubChem CID3442645
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide
SMILESCC(=NNC(=O)c1cccc(O)c1)C(F)(F)F
InChIInChI=1S/C10H9F3N2O2/c1-6(10(11,12)13)14-15-9(17)7-3-2-4-8(16)5-7/h2-5,16H,1H3,(H,15,17)
InChIKeyDQZFGWJTBJBOGG-UHFFFAOYSA-N
XLogP2.06
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid
CID 102524211
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide
CID 780352
N-acetyl-3-hydroxybenzamide
CID 130011909
4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide
CID 59956653
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)
CID 50896973
N-[(E)-(1-bromo-1,1-difluoropropan-2-ylidene)amino]benzamide
CID 167523986
3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 54777660
N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide
CID 6321959
3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135673825
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide?
The IUPAC name of 3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide (CID 3442645) is 3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide.
What is the SMILES notation for 3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide?
The canonical SMILES for 3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide is CC(=NNC(=O)c1cccc(O)c1)C(F)(F)F.
What is the InChIKey of 3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide?
The InChIKey is DQZFGWJTBJBOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-6(10(11,12)13)14-15-9(17)7-3-2-4-8(16)5-7/h2-5,16H,1H3,(H,15,17).
What are the key properties of 3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide?
3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide has a molecular weight of 246.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide is sourced from PubChem (CID 3442645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).