2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide

C18H16F3N3O3 — CID 17126801

IUPAC2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(C)c1O)c1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O3/c1-10-5-3-8-14(15(10)25)16(26)24-23-11(2)12-6-4-7-13(9-12)22-17(27)18(19,20)21/h3-9,25H,1-2H3,(H,22,27)(H,24,26)/b23-11+
InChIKeyXEHDGNFUQTZESI-FOKLQQMPSA-N
MW379.34 g/mol
LogP3.36
Rot. Bonds4

About 2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide

2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide (PubChem CID 17126801) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
PubChem CID17126801
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(C)c1O)c1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O3/c1-10-5-3-8-14(15(10)25)16(26)24-23-11(2)12-6-4-7-13(9-12)22-17(27)18(19,20)21/h3-9,25H,1-2H3,(H,22,27)(H,24,26)/b23-11+
InChIKeyXEHDGNFUQTZESI-FOKLQQMPSA-N
XLogP3.36
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.36
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

2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 3699366
N,N'-bis[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]pentanediamide
CID 3899858
4-(dimethylamino)-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4057400
3,4-dichloro-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 5430448
4-methoxy-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 1004731
2-(4-chlorophenyl)-8-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]quinoline-4-carboxamide
CID 17337998
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930
2-hydroxy-3-methyl-N-[[4-oxo-4-[3-(trifluoromethyl)anilino]butan-2-ylidene]amino]benzamide
CID 2889180
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 17337861
2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 40532050
4-chloro-N-[(E)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 17337873
2-hydroxy-N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 25237435

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide (CID 17126801) is 2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide is C/C(=N\NC(=O)c1cccc(C)c1O)c1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of 2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide?
The InChIKey is XEHDGNFUQTZESI-FOKLQQMPSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-10-5-3-8-14(15(10)25)16(26)24-23-11(2)12-6-4-7-13(9-12)22-17(27)18(19,20)21/h3-9,25H,1-2H3,(H,22,27)(H,24,26)/b23-11+.
What are the key properties of 2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide?
2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide has a molecular weight of 379.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 17126801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).