4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide

C14H10F2N2O — CID 5333160

IUPAC4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C14H10F2N2O/c15-12-7-5-10(6-8-12)14(19)18-17-9-11-3-1-2-4-13(11)16/h1-9H,(H,18,19)/b17-9+
InChIKeyFCTDIAIOIJHCIL-RQZCQDPDSA-N
MW260.24 g/mol
LogP2.73
Rot. Bonds3

About 4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide

4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide (PubChem CID 5333160) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
PubChem CID5333160
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C14H10F2N2O/c15-12-7-5-10(6-8-12)14(19)18-17-9-11-3-1-2-4-13(11)16/h1-9H,(H,18,19)/b17-9+
InChIKeyFCTDIAIOIJHCIL-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'}

Analyze 4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4563206
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4854323
4-fluoro-N-[(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 841414
4-fluoro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5412153
N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
CID 24789427
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide
CID 155530884

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide (CID 5333160) is 4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccccc1F)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide?
The InChIKey is FCTDIAIOIJHCIL-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-12-7-5-10(6-8-12)14(19)18-17-9-11-3-1-2-4-13(11)16/h1-9H,(H,18,19)/b17-9+.
What are the key properties of 4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide?
4-fluoro-N-[(E)-(2-fluorophenyl)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 4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5333160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).