1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one

C24H30FNO — CID 58270945

IUPAC1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one
SMILESCc1cc2c(c(C)c1CC(=O)CC(C)(C)C)CCN2Cc1ccc(F)cc1
InChIInChI=1S/C24H30FNO/c1-16-12-23-21(17(2)22(16)13-20(27)14-24(3,4)5)10-11-26(23)15-18-6-8-19(25)9-7-18/h6-9,12H,10-11,13-15H2,1-5H3
InChIKeyZAWDBEVPTRPQAZ-UHFFFAOYSA-N
MW367.51 g/mol
LogP5.55
Rot. Bonds5

About 1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one

1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one (PubChem CID 58270945) has the molecular formula C24H30FNO and a molecular weight of 367.51 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one
PubChem CID58270945
Molecular FormulaC24H30FNO
Molecular Weight367.51 g/mol
Exact Mass367.23
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one
SMILESCc1cc2c(c(C)c1CC(=O)CC(C)(C)C)CCN2Cc1ccc(F)cc1
InChIInChI=1S/C24H30FNO/c1-16-12-23-21(17(2)22(16)13-20(27)14-24(3,4)5)10-11-26(23)15-18-6-8-19(25)9-7-18/h6-9,12H,10-11,13-15H2,1-5H3
InChIKeyZAWDBEVPTRPQAZ-UHFFFAOYSA-N
XLogP5.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.51
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-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

Related Compounds

1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one
CID 10618918
6-ethyl-3-[(4-fluorophenyl)methyl]-3-methyl-1H-indol-2-one
CID 49792480
2,3-Dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
3-[3-[4-(dimethylamino)phenyl]propyl]-5-fluoro-3-methyl-1H-indol-2-one
CID 137657227
6-ethyl-3-[(3-fluorophenyl)methyl]-3-methyl-1H-indol-2-one
CID 49786365
1-Benzyl-3-methyl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 102227905
3-[(4-Fluorophenyl)methyl]-1,3-dimethylindol-2-one
CID 73057554
[5-Fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl](phenyl)methanone
CID 822330
(3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one
CID 11289016
(3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one
CID 11536181
(3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one
CID 46217162
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one
CID 46928405

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one (CID 58270945) is 1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one is Cc1cc2c(c(C)c1CC(=O)CC(C)(C)C)CCN2Cc1ccc(F)cc1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one?
The InChIKey is ZAWDBEVPTRPQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO/c1-16-12-23-21(17(2)22(16)13-20(27)14-24(3,4)5)10-11-26(23)15-18-6-8-19(25)9-7-18/h6-9,12H,10-11,13-15H2,1-5H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one?
1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one has a molecular weight of 367.51 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one is sourced from PubChem (CID 58270945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).