2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid

C15H12F2N2O3 — CID 4692966

IUPAC2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1NN=Cc1cccc(OC(F)F)c1
InChIInChI=1S/C15H12F2N2O3/c16-15(17)22-11-5-3-4-10(8-11)9-18-19-13-7-2-1-6-12(13)14(20)21/h1-9,15,19H,(H,20,21)
InChIKeyFOHXRIJDPUDSGT-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.43
Rot. Bonds6

About 2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid

2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid (PubChem CID 4692966) has the molecular formula C15H12F2N2O3 and a molecular weight of 306.27 g/mol. Its IUPAC name is 2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid
PubChem CID4692966
Molecular FormulaC15H12F2N2O3
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC Name2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1NN=Cc1cccc(OC(F)F)c1
InChIInChI=1S/C15H12F2N2O3/c16-15(17)22-11-5-3-4-10(8-11)9-18-19-13-7-2-1-6-12(13)14(20)21/h1-9,15,19H,(H,20,21)
InChIKeyFOHXRIJDPUDSGT-UHFFFAOYSA-N
XLogP3.43
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_A(19)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841337
N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine
CID 4152799
2-[2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841310
2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid
CID 3905063
2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoic acid
CID 75665244
2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]benzoic acid
CID 20982677
2-[(2E)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339708
2-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339797
2-[(2E)-2-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 19578665
2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid
CID 45327399
3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid
CID 59021950

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid (CID 4692966) is 2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid is O=C(O)c1ccccc1NN=Cc1cccc(OC(F)F)c1.
What is the InChIKey of 2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
The InChIKey is FOHXRIJDPUDSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3/c16-15(17)22-11-5-3-4-10(8-11)9-18-19-13-7-2-1-6-12(13)14(20)21/h1-9,15,19H,(H,20,21).
What are the key properties of 2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid has a molecular weight of 306.27 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 4692966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).