N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide

C14H10F2N2O — CID 6909478

IUPACN-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C14H10F2N2O/c15-12-7-6-11(13(16)8-12)9-17-18-14(19)10-4-2-1-3-5-10/h1-9H,(H,18,19)/b17-9+
InChIKeyPHFAUYYHZSCLOL-RQZCQDPDSA-N
MW260.24 g/mol
LogP2.73
Rot. Bonds3

About N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide

N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide (PubChem CID 6909478) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
PubChem CID6909478
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC NameN-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C14H10F2N2O/c15-12-7-6-11(13(16)8-12)9-17-18-14(19)10-4-2-1-3-5-10/h1-9H,(H,18,19)/b17-9+
InChIKeyPHFAUYYHZSCLOL-RQZCQDPDSA-N
XLogP2.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.73
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

N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide
CID 6902849
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 2590173
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide
CID 135937131
N-[(2,4-difluorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589534
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 6298230
N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6736199
[2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+)
CID 50911654
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2588987

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide (CID 6909478) is N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide?
The InChIKey is PHFAUYYHZSCLOL-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-12-7-6-11(13(16)8-12)9-17-18-14(19)10-4-2-1-3-5-10/h1-9H,(H,18,19)/b17-9+.
What are the key properties of N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide?
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide has a molecular weight of 260.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 6909478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).