1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one

C16H13FN2O — CID 142023691

IUPAC1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one
SMILESC/N=C1/C(=O)N(Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C16H13FN2O/c1-18-15-12-7-3-5-9-14(12)19(16(15)20)10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3/b18-15+
InChIKeyRWHFJJIJRYUMNV-OBGWFSINSA-N
MW268.29 g/mol
LogP2.79
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one

1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one (PubChem CID 142023691) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one
PubChem CID142023691
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one
SMILESC/N=C1/C(=O)N(Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C16H13FN2O/c1-18-15-12-7-3-5-9-14(12)19(16(15)20)10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3/b18-15+
InChIKeyRWHFJJIJRYUMNV-OBGWFSINSA-N
XLogP2.79
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one (CID 142023691) is 1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one is C/N=C1/C(=O)N(Cc2ccccc2F)c2ccccc21.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one?
The InChIKey is RWHFJJIJRYUMNV-OBGWFSINSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-18-15-12-7-3-5-9-14(12)19(16(15)20)10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3/b18-15+.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one?
1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one has a molecular weight of 268.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one is sourced from PubChem (CID 142023691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).