2-[(2,3-difluorophenyl)methylideneamino]benzoic acid

C14H9F2NO2 — CID 23333881

IUPAC2-[(2,3-difluorophenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccccc1/N=C/c1cccc(F)c1F
InChIInChI=1S/C14H9F2NO2/c15-11-6-3-4-9(13(11)16)8-17-12-7-2-1-5-10(12)14(18)19/h1-8H,(H,18,19)/b17-8+
InChIKeyZTKIQOKGPBCNOF-CAOOACKPSA-N
MW261.23 g/mol
LogP3.41
Rot. Bonds3

About 2-[(2,3-difluorophenyl)methylideneamino]benzoic acid

2-[(2,3-difluorophenyl)methylideneamino]benzoic acid (PubChem CID 23333881) has the molecular formula C14H9F2NO2 and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methylideneamino]benzoic acid
PubChem CID23333881
Molecular FormulaC14H9F2NO2
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name2-[(2,3-difluorophenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccccc1/N=C/c1cccc(F)c1F
InChIInChI=1S/C14H9F2NO2/c15-11-6-3-4-9(13(11)16)8-17-12-7-2-1-5-10(12)14(18)19/h1-8H,(H,18,19)/b17-8+
InChIKeyZTKIQOKGPBCNOF-CAOOACKPSA-N
XLogP3.41
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.41
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

2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid
CID 174908564
2-[(2-fluorophenyl)methylideneamino]phenol
CID 677307
3-[(2,3-difluorophenyl)methylideneamino]benzamide
CID 175437283
2-(2,3-difluorophenyl)-3-fluorobenzoic acid
CID 134630571
3-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 113242003
acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine
CID 66841721
[(E)-(2,3-difluorophenyl)methylideneamino]urea
CID 10012988
2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
CID 69303300
2-[[2-(1-acetyl-4-oxo-2H-3,1-benzoxazin-2-yl)phenyl]methylideneamino]benzoic acid
CID 102580830
1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine
CID 139199992
1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine
CID 23329229
3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one
CID 72689101

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methylideneamino]benzoic acid?
The IUPAC name of 2-[(2,3-difluorophenyl)methylideneamino]benzoic acid (CID 23333881) is 2-[(2,3-difluorophenyl)methylideneamino]benzoic acid.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methylideneamino]benzoic acid?
The canonical SMILES for 2-[(2,3-difluorophenyl)methylideneamino]benzoic acid is O=C(O)c1ccccc1/N=C/c1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)methylideneamino]benzoic acid?
The InChIKey is ZTKIQOKGPBCNOF-CAOOACKPSA-N. The full InChI is InChI=1S/C14H9F2NO2/c15-11-6-3-4-9(13(11)16)8-17-12-7-2-1-5-10(12)14(18)19/h1-8H,(H,18,19)/b17-8+.
What are the key properties of 2-[(2,3-difluorophenyl)methylideneamino]benzoic acid?
2-[(2,3-difluorophenyl)methylideneamino]benzoic acid has a molecular weight of 261.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methylideneamino]benzoic acid is sourced from PubChem (CID 23333881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).