2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide

C15H12F2N2O — CID 86621112

IUPAC2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C15H12F2N2O/c1-10(11-5-3-2-4-6-11)18-19-15(20)13-9-12(16)7-8-14(13)17/h2-9H,1H3,(H,19,20)/b18-10-
InChIKeyXJMWOSKMWUULEN-ZDLGFXPLSA-N
MW274.27 g/mol
LogP3.12
Rot. Bonds3

About 2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide

2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide (PubChem CID 86621112) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide
PubChem CID86621112
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C15H12F2N2O/c1-10(11-5-3-2-4-6-11)18-19-15(20)13-9-12(16)7-8-14(13)17/h2-9H,1H3,(H,19,20)/b18-10-
InChIKeyXJMWOSKMWUULEN-ZDLGFXPLSA-N
XLogP3.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.12
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

1-methyl-N-[(E)-1-phenylethylideneamino]pyridin-1-ium-4-carboxamide
CID 51056262
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 9016019
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide
CID 6088613
3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6143430
N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
CID 4181605
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide
CID 6089848
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-fluorobenzamide
CID 6146725
2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6085732

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide?
The IUPAC name of 2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide (CID 86621112) is 2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide?
The canonical SMILES for 2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide is C/C(=N/NC(=O)c1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of 2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide?
The InChIKey is XJMWOSKMWUULEN-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-10(11-5-3-2-4-6-11)18-19-15(20)13-9-12(16)7-8-14(13)17/h2-9H,1H3,(H,19,20)/b18-10-.
What are the key properties of 2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide?
2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide has a molecular weight of 274.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide is sourced from PubChem (CID 86621112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).