3-[(2,3-difluorophenyl)methylideneamino]benzamide

C14H10F2N2O — CID 175437283

IUPAC3-[(2,3-difluorophenyl)methylideneamino]benzamide
SMILESNC(=O)c1cccc(/N=C/c2cccc(F)c2F)c1
InChIInChI=1S/C14H10F2N2O/c15-12-6-2-4-10(13(12)16)8-18-11-5-1-3-9(7-11)14(17)19/h1-8H,(H2,17,19)/b18-8+
InChIKeyGAAGGNWVYLXLGU-QGMBQPNBSA-N
MW260.24 g/mol
LogP2.81
Rot. Bonds3

About 3-[(2,3-difluorophenyl)methylideneamino]benzamide

3-[(2,3-difluorophenyl)methylideneamino]benzamide (PubChem CID 175437283) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methylideneamino]benzamide
PubChem CID175437283
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name3-[(2,3-difluorophenyl)methylideneamino]benzamide
SMILESNC(=O)c1cccc(/N=C/c2cccc(F)c2F)c1
InChIInChI=1S/C14H10F2N2O/c15-12-6-2-4-10(13(12)16)8-18-11-5-1-3-9(7-11)14(17)19/h1-8H,(H2,17,19)/b18-8+
InChIKeyGAAGGNWVYLXLGU-QGMBQPNBSA-N
XLogP2.81
TPSA55.45 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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine
CID 23329229
1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine
CID 139199992
[(E)-(2,3-difluorophenyl)methylideneamino]urea
CID 10012988
acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine
CID 66841721
2-[(2,3-difluorophenyl)methylideneamino]benzoic acid
CID 23333881
2-[1-[2-[3-[(2,3-difluorophenyl)methylideneamino]phenyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 169086252
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
4-[(2-methylphenyl)methylideneamino]benzamide
CID 969218
3-[(1-amino-2-methylpropylidene)amino]benzamide
CID 107811864
3-[[6-[(3-carboxyphenyl)iminomethyl]-2-pyridinyl]methylideneamino]benzoic acid
CID 71292598
4-(2,3-difluorophenyl)benzamide
CID 18626229

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methylideneamino]benzamide?
The IUPAC name of 3-[(2,3-difluorophenyl)methylideneamino]benzamide (CID 175437283) is 3-[(2,3-difluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-[(2,3-difluorophenyl)methylideneamino]benzamide is NC(=O)c1cccc(/N=C/c2cccc(F)c2F)c1.
What is the InChIKey of 3-[(2,3-difluorophenyl)methylideneamino]benzamide?
The InChIKey is GAAGGNWVYLXLGU-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-12-6-2-4-10(13(12)16)8-18-11-5-1-3-9(7-11)14(17)19/h1-8H,(H2,17,19)/b18-8+.
What are the key properties of 3-[(2,3-difluorophenyl)methylideneamino]benzamide?
3-[(2,3-difluorophenyl)methylideneamino]benzamide has a molecular weight of 260.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 175437283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).