1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one

C22H17FN2O — CID 3975158

IUPAC1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one
SMILESCc1cccc(/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccccc32)c1
InChIInChI=1S/C22H17FN2O/c1-15-5-4-6-18(13-15)24-21-19-7-2-3-8-20(19)25(22(21)26)14-16-9-11-17(23)12-10-16/h2-13H,14H2,1H3/b24-21-
InChIKeyBKNAPWMRRHYYKO-FLFQWRMESA-N
MW344.39 g/mol
LogP4.80
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one

1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one (PubChem CID 3975158) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one
PubChem CID3975158
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one
SMILESCc1cccc(/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccccc32)c1
InChIInChI=1S/C22H17FN2O/c1-15-5-4-6-18(13-15)24-21-19-7-2-3-8-20(19)25(22(21)26)14-16-9-11-17(23)12-10-16/h2-13H,14H2,1H3/b24-21-
InChIKeyBKNAPWMRRHYYKO-FLFQWRMESA-N
XLogP4.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.80
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-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one (CID 3975158) is 1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one is Cc1cccc(/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccccc32)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one?
The InChIKey is BKNAPWMRRHYYKO-FLFQWRMESA-N. The full InChI is InChI=1S/C22H17FN2O/c1-15-5-4-6-18(13-15)24-21-19-7-2-3-8-20(19)25(22(21)26)14-16-9-11-17(23)12-10-16/h2-13H,14H2,1H3/b24-21-.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one?
1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one has a molecular weight of 344.39 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)iminoindol-2-one is sourced from PubChem (CID 3975158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).