N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide

C16H14F2N2O3 — CID 3390969

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1ccccc1O)c1ccccc1OC(F)F
InChIInChI=1S/C16H14F2N2O3/c1-10(11-6-3-5-9-14(11)23-16(17)18)19-20-15(22)12-7-2-4-8-13(12)21/h2-9,16,21H,1H3,(H,20,22)
InChIKeyMDYBOCQVCFJTTM-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.15
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide

N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide (PubChem CID 3390969) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide
PubChem CID3390969
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1ccccc1O)c1ccccc1OC(F)F
InChIInChI=1S/C16H14F2N2O3/c1-10(11-6-3-5-9-14(11)23-16(17)18)19-20-15(22)12-7-2-4-8-13(12)21/h2-9,16,21H,1H3,(H,20,22)
InChIKeyMDYBOCQVCFJTTM-UHFFFAOYSA-N
XLogP3.15
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
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

[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea
CID 9017353
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
[1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea
CID 76872298
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7429040
N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 3887231
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate
CID 8007668
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518935

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide (CID 3390969) is N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide is CC(=NNC(=O)c1ccccc1O)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide?
The InChIKey is MDYBOCQVCFJTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c1-10(11-6-3-5-9-14(11)23-16(17)18)19-20-15(22)12-7-2-4-8-13(12)21/h2-9,16,21H,1H3,(H,20,22).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide?
N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide has a molecular weight of 320.30 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 3390969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).