4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide

C15H11ClFN3O2 — CID 67494565

IUPAC4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide
SMILESNC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccc(F)cc1
InChIInChI=1S/C15H11ClFN3O2/c16-10-3-6-12(14(18)21)13(7-10)15(22)20-19-8-9-1-4-11(17)5-2-9/h1-8H,(H2,18,21)(H,20,22)
InChIKeyDBERRJUVGCGHTH-UHFFFAOYSA-N
MW319.72 g/mol
LogP2.34
Rot. Bonds4

About 4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide

4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide (PubChem CID 67494565) has the molecular formula C15H11ClFN3O2 and a molecular weight of 319.72 g/mol. Its IUPAC name is 4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide
PubChem CID67494565
Molecular FormulaC15H11ClFN3O2
Molecular Weight319.72 g/mol
Exact Mass319.05
IUPAC Name4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide
SMILESNC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccc(F)cc1
InChIInChI=1S/C15H11ClFN3O2/c16-10-3-6-12(14(18)21)13(7-10)15(22)20-19-8-9-1-4-11(17)5-2-9/h1-8H,(H2,18,21)(H,20,22)
InChIKeyDBERRJUVGCGHTH-UHFFFAOYSA-N
XLogP2.34
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
CID 6894279
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[(4-fluorophenyl)methylideneamino]urea
CID 5383880
1-[(4-chlorophenyl)methylideneamino]-2-[(4-fluorophenyl)methylideneamino]guanidine
CID 123386434
4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 867441
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
CID 9016709
4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide
CID 67494163
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide?
The IUPAC name of 4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide (CID 67494565) is 4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide.
What is the SMILES notation for 4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide?
The canonical SMILES for 4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide is NC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccc(F)cc1.
What is the InChIKey of 4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide?
The InChIKey is DBERRJUVGCGHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2/c16-10-3-6-12(14(18)21)13(7-10)15(22)20-19-8-9-1-4-11(17)5-2-9/h1-8H,(H2,18,21)(H,20,22).
What are the key properties of 4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide?
4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide has a molecular weight of 319.72 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide is sourced from PubChem (CID 67494565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).