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

C24H29F2NO — CID 58270958

IUPAC1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one
SMILESCc1cc2c(c(C)c1CC(=O)CC(C)(C)C)CCN2Cc1cc(F)cc(F)c1
InChIInChI=1S/C24H29F2NO/c1-15-8-23-21(16(2)22(15)12-20(28)13-24(3,4)5)6-7-27(23)14-17-9-18(25)11-19(26)10-17/h8-11H,6-7,12-14H2,1-5H3
InChIKeyYXZWABXRWOXLDC-UHFFFAOYSA-N
MW385.50 g/mol
LogP5.69
Rot. Bonds5

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

1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one (PubChem CID 58270958) has the molecular formula C24H29F2NO and a molecular weight of 385.50 g/mol. Its IUPAC name is 1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one
PubChem CID58270958
Molecular FormulaC24H29F2NO
Molecular Weight385.50 g/mol
Exact Mass385.22
IUPAC Name1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one
SMILESCc1cc2c(c(C)c1CC(=O)CC(C)(C)C)CCN2Cc1cc(F)cc(F)c1
InChIInChI=1S/C24H29F2NO/c1-15-8-23-21(16(2)22(15)12-20(28)13-24(3,4)5)6-7-27(23)14-17-9-18(25)11-19(26)10-17/h8-11H,6-7,12-14H2,1-5H3
InChIKeyYXZWABXRWOXLDC-UHFFFAOYSA-N
XLogP5.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.50
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(3,5-difluorophenyl)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-Benzyl-3-methyl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 102227905
[5-Fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl](phenyl)methanone
CID 822330
3-Acetyl-1-benzyl-5-fluoro-3-methylindol-2-one
CID 56946043
3-Acetyl-1-benzyl-2-oxo-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile
CID 76458150
(3S)-1,3-dimethyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 101480439
(3R)-1-methyl-3-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 101504931
5-Tert-butyl-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 101896604
1,3,4,6-Tetramethyl-3-(3,3,3-trifluoropropyl)indol-2-one
CID 101910379
1,3-Dimethyl-3-(3,3,3-trifluoropropyl)benzo[g]indol-2-one
CID 101910380
6-Tert-butyl-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 102502637
(3S)-1-methyl-3-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 132837220
1,3-Dimethyl-3-(2-(trifluoromethyl)phenethyl)indolin-2-one
CID 134817679

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one?
The IUPAC name of 1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one (CID 58270958) is 1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one is Cc1cc2c(c(C)c1CC(=O)CC(C)(C)C)CCN2Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one?
The InChIKey is YXZWABXRWOXLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2NO/c1-15-8-23-21(16(2)22(15)12-20(28)13-24(3,4)5)6-7-27(23)14-17-9-18(25)11-19(26)10-17/h8-11H,6-7,12-14H2,1-5H3.
What are the key properties of 1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one?
1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one has a molecular weight of 385.50 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one is sourced from PubChem (CID 58270958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).