2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol

C18H14F2N2O — CID 5237787

IUPAC2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol
SMILESCC(=NNc1ccc(F)cc1F)c1ccc2ccccc2c1O
InChIInChI=1S/C18H14F2N2O/c1-11(21-22-17-9-7-13(19)10-16(17)20)14-8-6-12-4-2-3-5-15(12)18(14)23/h2-10,22-23H,1H3
InChIKeyBHWUYBQFRYAZEY-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.66
Rot. Bonds3

About 2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol

2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol (PubChem CID 5237787) has the molecular formula C18H14F2N2O and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol
PubChem CID5237787
Molecular FormulaC18H14F2N2O
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol
SMILESCC(=NNc1ccc(F)cc1F)c1ccc2ccccc2c1O
InChIInChI=1S/C18H14F2N2O/c1-11(21-22-17-9-7-13(19)10-16(17)20)14-8-6-12-4-2-3-5-15(12)18(14)23/h2-10,22-23H,1H3
InChIKeyBHWUYBQFRYAZEY-UHFFFAOYSA-N
XLogP4.66
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.66
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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Related Compounds

2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol
CID 135811561
2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol
CID 135716763
1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3286137
2-(C,N-dimethylcarbonimidoyl)naphthalen-1-ol
CID 135790005
3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135673825
2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717
2-[(E)-C-methyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)amino]carbonimidoyl]naphthalen-1-ol
CID 137314546
N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 3292765
3-[4-[(Z)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoate
CID 9390750
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline
CID 9058365
2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 18224635
(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid
CID 21298987

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol?
The IUPAC name of 2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol (CID 5237787) is 2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol.
What is the SMILES notation for 2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol?
The canonical SMILES for 2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol is CC(=NNc1ccc(F)cc1F)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol?
The InChIKey is BHWUYBQFRYAZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O/c1-11(21-22-17-9-7-13(19)10-16(17)20)14-8-6-12-4-2-3-5-15(12)18(14)23/h2-10,22-23H,1H3.
What are the key properties of 2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol?
2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol has a molecular weight of 312.32 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol is sourced from PubChem (CID 5237787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).