2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol

C18H11F5N2O — CID 135811561

IUPAC2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol
SMILESC/C(=N\Nc1c(F)c(F)c(F)c(F)c1F)c1ccc2ccccc2c1O
InChIInChI=1S/C18H11F5N2O/c1-8(10-7-6-9-4-2-3-5-11(9)18(10)26)24-25-17-15(22)13(20)12(19)14(21)16(17)23/h2-7,25-26H,1H3/b24-8+
InChIKeyOTNXVEUCMKPZDU-KTZMUZOWSA-N
MW366.29 g/mol
LogP5.08
Rot. Bonds3

About 2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol

2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol (PubChem CID 135811561) has the molecular formula C18H11F5N2O and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol
PubChem CID135811561
Molecular FormulaC18H11F5N2O
Molecular Weight366.29 g/mol
Exact Mass366.08
IUPAC Name2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol
SMILESC/C(=N\Nc1c(F)c(F)c(F)c(F)c1F)c1ccc2ccccc2c1O
InChIInChI=1S/C18H11F5N2O/c1-8(10-7-6-9-4-2-3-5-11(9)18(10)26)24-25-17-15(22)13(20)12(19)14(21)16(17)23/h2-7,25-26H,1H3/b24-8+
InChIKeyOTNXVEUCMKPZDU-KTZMUZOWSA-N
XLogP5.08
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol?
The IUPAC name of 2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol (CID 135811561) is 2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol?
The canonical SMILES for 2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol is C/C(=N\Nc1c(F)c(F)c(F)c(F)c1F)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol?
The InChIKey is OTNXVEUCMKPZDU-KTZMUZOWSA-N. The full InChI is InChI=1S/C18H11F5N2O/c1-8(10-7-6-9-4-2-3-5-11(9)18(10)26)24-25-17-15(22)13(20)12(19)14(21)16(17)23/h2-7,25-26H,1H3/b24-8+.
What are the key properties of 2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol?
2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol has a molecular weight of 366.29 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol is sourced from PubChem (CID 135811561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).