5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one

C21H20F2N2O2 — CID 154871792

IUPAC5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCCC(=O)N3CCC3c3ccc(F)c(F)c3)ccc2N1
InChIInChI=1S/C21H20F2N2O2/c22-16-6-5-14(11-17(16)23)19-8-9-25(19)21(27)3-1-2-13-4-7-18-15(10-13)12-20(26)24-18/h4-7,10-11,19H,1-3,8-9,12H2,(H,24,26)
InChIKeyPCKKAIZSAOEFHM-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.76
Rot. Bonds5

About 5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one

5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one (PubChem CID 154871792) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
PubChem CID154871792
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCCC(=O)N3CCC3c3ccc(F)c(F)c3)ccc2N1
InChIInChI=1S/C21H20F2N2O2/c22-16-6-5-14(11-17(16)23)19-8-9-25(19)21(27)3-1-2-13-4-7-18-15(10-13)12-20(26)24-18/h4-7,10-11,19H,1-3,8-9,12H2,(H,24,26)
InChIKeyPCKKAIZSAOEFHM-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-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

5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
(3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 125134746
5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
CID 124620564
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
CID 124874611
5-butyl-1,3-dihydroindol-2-one
CID 10219749
(2R,3R)-1-[4-(3,4-difluorophenyl)butanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116122
5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one
CID 154865923
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 100904249
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
CID 98016927
N-[2-(cycloheptylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119620576

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one (CID 154871792) is 5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(CCCC(=O)N3CCC3c3ccc(F)c(F)c3)ccc2N1.
What is the InChIKey of 5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one?
The InChIKey is PCKKAIZSAOEFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c22-16-6-5-14(11-17(16)23)19-8-9-25(19)21(27)3-1-2-13-4-7-18-15(10-13)12-20(26)24-18/h4-7,10-11,19H,1-3,8-9,12H2,(H,24,26).
What are the key properties of 5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one?
5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one has a molecular weight of 370.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 154871792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).