N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide

C22H25FN2O2 — CID 113121038

IUPACN-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1c2ccccc2CC1C)CCc1ccccc1F
InChIInChI=1S/C22H25FN2O2/c1-16-15-19-8-4-6-10-21(19)25(16)22(27)12-14-24(17(2)26)13-11-18-7-3-5-9-20(18)23/h3-10,16H,11-15H2,1-2H3
InChIKeyWDYPDBHPRQDSKO-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide

N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide (PubChem CID 113121038) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
PubChem CID113121038
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1c2ccccc2CC1C)CCc1ccccc1F
InChIInChI=1S/C22H25FN2O2/c1-16-15-19-8-4-6-10-21(19)25(16)22(27)12-14-24(17(2)26)13-11-18-7-3-5-9-20(18)23/h3-10,16H,11-15H2,1-2H3
InChIKeyWDYPDBHPRQDSKO-UHFFFAOYSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113117047
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113116087
N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113139278
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113120320
N-(2,6-difluorophenyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113181536
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51632378
N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108985287
N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113131813
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129931
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159771
3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 134016689
N-[2-(2-fluorophenyl)ethyl]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113120951

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide (CID 113121038) is N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1c2ccccc2CC1C)CCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The InChIKey is WDYPDBHPRQDSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-16-15-19-8-4-6-10-21(19)25(16)22(27)12-14-24(17(2)26)13-11-18-7-3-5-9-20(18)23/h3-10,16H,11-15H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide has a molecular weight of 368.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113121038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).