1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

C22H24F2N2O — CID 126790858

IUPAC1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CN(Cc2ccc(C(F)F)cc2)c2ccccc21
InChIInChI=1S/C22H24F2N2O/c23-22(24)17-9-7-16(8-10-17)14-26-15-18(19-4-1-2-5-20(19)26)11-13-25-12-3-6-21(25)27/h1-2,4-5,7-10,18,22H,3,6,11-15H2
InChIKeyWHOFUJNCFDFSFB-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.74
Rot. Bonds6

About 1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (PubChem CID 126790858) has the molecular formula C22H24F2N2O and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
PubChem CID126790858
Molecular FormulaC22H24F2N2O
Molecular Weight370.44 g/mol
Exact Mass370.19
IUPAC Name1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CN(Cc2ccc(C(F)F)cc2)c2ccccc21
InChIInChI=1S/C22H24F2N2O/c23-22(24)17-9-7-16(8-10-17)14-26-15-18(19-4-1-2-5-20(19)26)11-13-25-12-3-6-21(25)27/h1-2,4-5,7-10,18,22H,3,6,11-15H2
InChIKeyWHOFUJNCFDFSFB-UHFFFAOYSA-N
XLogP4.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 97083404
1-[2-[(3R)-1-[[6-chloro-2-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 99790675
1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 129398296
1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96567308
1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96569870
N-(3,4-dimethylphenyl)-2-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 126784115
N-(2,5-dimethylphenyl)-2-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 126793527
3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide
CID 71975520
1-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 24700363
6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile
CID 133419110
1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 133485840
1-[2-[(3R)-1-[(3S)-morpholine-3-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702543

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (CID 126790858) is 1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCC1CN(Cc2ccc(C(F)F)cc2)c2ccccc21.
What is the InChIKey of 1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The InChIKey is WHOFUJNCFDFSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O/c23-22(24)17-9-7-16(8-10-17)14-26-15-18(19-4-1-2-5-20(19)26)11-13-25-12-3-6-21(25)27/h1-2,4-5,7-10,18,22H,3,6,11-15H2.
What are the key properties of 1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one has a molecular weight of 370.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 126790858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).