1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one

C27H25FN2O2 — CID 102334281

IUPAC1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one
SMILESO=C1CCCCC1C1(Nc2ccc(F)cc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C27H25FN2O2/c28-20-14-16-21(17-15-20)29-27(23-11-5-7-13-25(23)31)22-10-4-6-12-24(22)30(26(27)32)18-19-8-2-1-3-9-19/h1-4,6,8-10,12,14-17,23,29H,5,7,11,13,18H2
InChIKeyCEHZHXJZBXNFOS-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.44
Rot. Bonds5

About 1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one

1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one (PubChem CID 102334281) has the molecular formula C27H25FN2O2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one
PubChem CID102334281
Molecular FormulaC27H25FN2O2
Molecular Weight428.51 g/mol
Exact Mass428.19
IUPAC Name1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one
SMILESO=C1CCCCC1C1(Nc2ccc(F)cc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C27H25FN2O2/c28-20-14-16-21(17-15-20)29-27(23-11-5-7-13-25(23)31)22-10-4-6-12-24(22)30(26(27)32)18-19-8-2-1-3-9-19/h1-4,6,8-10,12,14-17,23,29H,5,7,11,13,18H2
InChIKeyCEHZHXJZBXNFOS-UHFFFAOYSA-N
XLogP5.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one?
The IUPAC name of 1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one (CID 102334281) is 1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one.
What is the SMILES notation for 1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one?
The canonical SMILES for 1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one is O=C1CCCCC1C1(Nc2ccc(F)cc2)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one?
The InChIKey is CEHZHXJZBXNFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O2/c28-20-14-16-21(17-15-20)29-27(23-11-5-7-13-25(23)31)22-10-4-6-12-24(22)30(26(27)32)18-19-8-2-1-3-9-19/h1-4,6,8-10,12,14-17,23,29H,5,7,11,13,18H2.
What are the key properties of 1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one?
1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one has a molecular weight of 428.51 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one is sourced from PubChem (CID 102334281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).