2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide

C15H11F3N2O3 — CID 869882

IUPAC2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(C(F)(F)F)cc1)c1ccc(O)cc1O
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)10-3-1-9(2-4-10)8-19-20-14(23)12-6-5-11(21)7-13(12)22/h1-8,21-22H,(H,20,23)
InChIKeyORGFKXODNYYFKK-UHFFFAOYSA-N
MW324.26 g/mol
LogP2.88
Rot. Bonds3

About 2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide

2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide (PubChem CID 869882) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
PubChem CID869882
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(C(F)(F)F)cc1)c1ccc(O)cc1O
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)10-3-1-9(2-4-10)8-19-20-14(23)12-6-5-11(21)7-13(12)22/h1-8,21-22H,(H,20,23)
InChIKeyORGFKXODNYYFKK-UHFFFAOYSA-N
XLogP2.88
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.88
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

N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 764268
4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135511247
2,4-dihydroxy-N-[(E)-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]methylideneamino]benzamide
CID 46496635
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
CID 793892
N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 5333882
[4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 5437491
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 764254
1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea
CID 131985079
N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid
CID 57397723
N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 45054611
4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 867441

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide (CID 869882) is 2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide is O=C(NN=Cc1ccc(C(F)(F)F)cc1)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The InChIKey is ORGFKXODNYYFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c16-15(17,18)10-3-1-9(2-4-10)8-19-20-14(23)12-6-5-11(21)7-13(12)22/h1-8,21-22H,(H,20,23).
What are the key properties of 2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide?
2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide has a molecular weight of 324.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 869882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).