N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide

C14H9F3N2O — CID 9016709

IUPACN-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
SMILESO=C(N/N=C\c1ccc(F)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C14H9F3N2O/c15-11-4-2-10(3-5-11)14(20)19-18-8-9-1-6-12(16)13(17)7-9/h1-8H,(H,19,20)/b18-8-
InChIKeyQZJSNHHABUQSGS-LSCVHKIXSA-N
MW278.23 g/mol
LogP2.87
Rot. Bonds3

About N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide

N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide (PubChem CID 9016709) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
PubChem CID9016709
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC NameN-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
SMILESO=C(N/N=C\c1ccc(F)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C14H9F3N2O/c15-11-4-2-10(3-5-11)14(20)19-18-8-9-1-6-12(16)13(17)7-9/h1-8H,(H,19,20)/b18-8-
InChIKeyQZJSNHHABUQSGS-LSCVHKIXSA-N
XLogP2.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42999207
4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate
CID 2403681
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 9183125
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9466047
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126132059
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 6298230
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide (CID 9016709) is N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide is O=C(N/N=C\c1ccc(F)c(F)c1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide?
The InChIKey is QZJSNHHABUQSGS-LSCVHKIXSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-11-4-2-10(3-5-11)14(20)19-18-8-9-1-6-12(16)13(17)7-9/h1-8H,(H,19,20)/b18-8-.
What are the key properties of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide?
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide has a molecular weight of 278.23 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 9016709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).