2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide

C14H7F5N2O2 — CID 4683367

IUPAC2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1O
InChIInChI=1S/C14H7F5N2O2/c15-9-7(10(16)12(18)13(19)11(9)17)5-20-21-14(23)6-3-1-2-4-8(6)22/h1-5,22H,(H,21,23)
InChIKeyQJCQJZYKGTZRPC-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.85
Rot. Bonds3

About 2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide

2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide (PubChem CID 4683367) has the molecular formula C14H7F5N2O2 and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
PubChem CID4683367
Molecular FormulaC14H7F5N2O2
Molecular Weight330.21 g/mol
Exact Mass330.04
IUPAC Name2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1O
InChIInChI=1S/C14H7F5N2O2/c15-9-7(10(16)12(18)13(19)11(9)17)5-20-21-14(23)6-3-1-2-4-8(6)22/h1-5,22H,(H,21,23)
InChIKeyQJCQJZYKGTZRPC-UHFFFAOYSA-N
XLogP2.85
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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

2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 3395739
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135959957
N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid
CID 57397723
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5335710
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
CID 136728460
N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
CID 793892
N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide
CID 9078032
2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide
CID 70615404

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide (CID 4683367) is 2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide is O=C(NN=Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide?
The InChIKey is QJCQJZYKGTZRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5N2O2/c15-9-7(10(16)12(18)13(19)11(9)17)5-20-21-14(23)6-3-1-2-4-8(6)22/h1-5,22H,(H,21,23).
What are the key properties of 2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide?
2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide has a molecular weight of 330.21 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 4683367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).