1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one

C24H27F2NO — CID 58270948

IUPAC1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one
SMILESCc1cc2c(ccn2Cc2ccc(F)c(F)c2)c(C)c1CC(=O)CC(C)(C)C
InChIInChI=1S/C24H27F2NO/c1-15-10-23-19(16(2)20(15)12-18(28)13-24(3,4)5)8-9-27(23)14-17-6-7-21(25)22(26)11-17/h6-11H,12-14H2,1-5H3
InChIKeyVYSLRKHFMPSDKH-UHFFFAOYSA-N
MW383.48 g/mol
LogP6.13
Rot. Bonds5

About 1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one

1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one (PubChem CID 58270948) has the molecular formula C24H27F2NO and a molecular weight of 383.48 g/mol. Its IUPAC name is 1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one
PubChem CID58270948
Molecular FormulaC24H27F2NO
Molecular Weight383.48 g/mol
Exact Mass383.21
IUPAC Name1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one
SMILESCc1cc2c(ccn2Cc2ccc(F)c(F)c2)c(C)c1CC(=O)CC(C)(C)C
InChIInChI=1S/C24H27F2NO/c1-15-10-23-19(16(2)20(15)12-18(28)13-24(3,4)5)8-9-27(23)14-17-6-7-21(25)22(26)11-17/h6-11H,12-14H2,1-5H3
InChIKeyVYSLRKHFMPSDKH-UHFFFAOYSA-N
XLogP6.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-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-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one?
The IUPAC name of 1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one (CID 58270948) is 1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one is Cc1cc2c(ccn2Cc2ccc(F)c(F)c2)c(C)c1CC(=O)CC(C)(C)C.
What is the InChIKey of 1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one?
The InChIKey is VYSLRKHFMPSDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2NO/c1-15-10-23-19(16(2)20(15)12-18(28)13-24(3,4)5)8-9-27(23)14-17-6-7-21(25)22(26)11-17/h6-11H,12-14H2,1-5H3.
What are the key properties of 1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one?
1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one has a molecular weight of 383.48 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-difluorophenyl)methyl]-4,6-dimethylindol-5-yl]-4,4-dimethylpentan-2-one is sourced from PubChem (CID 58270948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).