2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide

C16H14F2N2O4 — CID 135455777

IUPAC2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(O)c(C=NNC(=O)c2c(F)cccc2F)c(OC)c1
InChIInChI=1S/C16H14F2N2O4/c1-23-9-6-13(21)10(14(7-9)24-2)8-19-20-16(22)15-11(17)4-3-5-12(15)18/h3-8,21H,1-2H3,(H,20,22)
InChIKeyRJCJFEJEPNNONF-UHFFFAOYSA-N
MW336.29 g/mol
LogP2.45
Rot. Bonds5

About 2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide

2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 135455777) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID135455777
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(O)c(C=NNC(=O)c2c(F)cccc2F)c(OC)c1
InChIInChI=1S/C16H14F2N2O4/c1-23-9-6-13(21)10(14(7-9)24-2)8-19-20-16(22)15-11(17)4-3-5-12(15)18/h3-8,21H,1-2H3,(H,20,22)
InChIKeyRJCJFEJEPNNONF-UHFFFAOYSA-N
XLogP2.45
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
CID 135615813
[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 5092533
[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 135679545
3-hydroxy-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 6911487
5-chloro-2-hydroxy-N-[(Z)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 9297823
[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea
CID 136717021
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
3-phenyl-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6891442
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 88862108
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 5391556
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 5427556
2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide
CID 152758745

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide (CID 135455777) is 2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide is COc1cc(O)c(C=NNC(=O)c2c(F)cccc2F)c(OC)c1.
What is the InChIKey of 2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is RJCJFEJEPNNONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4/c1-23-9-6-13(21)10(14(7-9)24-2)8-19-20-16(22)15-11(17)4-3-5-12(15)18/h3-8,21H,1-2H3,(H,20,22).
What are the key properties of 2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide?
2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 336.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135455777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).