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

C14H10F2N2O — CID 2691351

IUPACN-[(2,4-difluorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(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)
InChIKeyPHFAUYYHZSCLOL-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.73
Rot. Bonds3

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

N-[(2,4-difluorophenyl)methylideneamino]benzamide (PubChem CID 2691351) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methylideneamino]benzamide
PubChem CID2691351
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC NameN-[(2,4-difluorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(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)
InChIKeyPHFAUYYHZSCLOL-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methylideneamino]benzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methylideneamino]benzamide (CID 2691351) is N-[(2,4-difluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methylideneamino]benzamide is O=C(NN=Cc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methylideneamino]benzamide?
The InChIKey is PHFAUYYHZSCLOL-UHFFFAOYSA-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).
What are the key properties of N-[(2,4-difluorophenyl)methylideneamino]benzamide?
N-[(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-[(2,4-difluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 2691351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).