2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol

C14H12F2N2O — CID 135519991

IUPAC2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Nc1ccc(F)cc1F)c1ccccc1O
InChIInChI=1S/C14H12F2N2O/c1-9(11-4-2-3-5-14(11)19)17-18-13-7-6-10(15)8-12(13)16/h2-8,18-19H,1H3/b17-9+
InChIKeyPRUUFOWPTAVWQS-RQZCQDPDSA-N
MW262.26 g/mol
LogP3.51
Rot. Bonds3

About 2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol

2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol (PubChem CID 135519991) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol
PubChem CID135519991
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Nc1ccc(F)cc1F)c1ccccc1O
InChIInChI=1S/C14H12F2N2O/c1-9(11-4-2-3-5-14(11)19)17-18-13-7-6-10(15)8-12(13)16/h2-8,18-19H,1H3/b17-9+
InChIKeyPRUUFOWPTAVWQS-RQZCQDPDSA-N
XLogP3.51
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol (CID 135519991) is 2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol is C/C(=N\Nc1ccc(F)cc1F)c1ccccc1O.
What is the InChIKey of 2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol?
The InChIKey is PRUUFOWPTAVWQS-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-9(11-4-2-3-5-14(11)19)17-18-13-7-6-10(15)8-12(13)16/h2-8,18-19H,1H3/b17-9+.
What are the key properties of 2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol?
2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol has a molecular weight of 262.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135519991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).