2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one

C18H14FNO2 — CID 135411555

IUPAC2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
SMILESC/C(=N\Cc1ccc(F)cc1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C18H14FNO2/c1-11(20-10-12-6-8-13(19)9-7-12)16-17(21)14-4-2-3-5-15(14)18(16)22/h2-9,21H,10H2,1H3/b20-11+
InChIKeyPMKFHQWEEYDQAT-RGVLZGJSSA-N
MW295.31 g/mol
LogP3.95
Rot. Bonds3

About 2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one

2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one (PubChem CID 135411555) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
PubChem CID135411555
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
SMILESC/C(=N\Cc1ccc(F)cc1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C18H14FNO2/c1-11(20-10-12-6-8-13(19)9-7-12)16-17(21)14-4-2-3-5-15(14)18(16)22/h2-9,21H,10H2,1H3/b20-11+
InChIKeyPMKFHQWEEYDQAT-RGVLZGJSSA-N
XLogP3.95
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one (CID 135411555) is 2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one is C/C(=N\Cc1ccc(F)cc1)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The InChIKey is PMKFHQWEEYDQAT-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H14FNO2/c1-11(20-10-12-6-8-13(19)9-7-12)16-17(21)14-4-2-3-5-15(14)18(16)22/h2-9,21H,10H2,1H3/b20-11+.
What are the key properties of 2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one has a molecular weight of 295.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135411555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).