1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one

C22H25FN2O3 — CID 42123586

IUPAC1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1c(CC(=O)N2CCOCC2)c2c(n1Cc1ccccc1F)CCCC2=O
InChIInChI=1S/C22H25FN2O3/c1-15-17(13-21(27)24-9-11-28-12-10-24)22-19(7-4-8-20(22)26)25(15)14-16-5-2-3-6-18(16)23/h2-3,5-6H,4,7-14H2,1H3
InChIKeyKHHSUCBDPBMDKK-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.90
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one

1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 42123586) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one
PubChem CID42123586
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1c(CC(=O)N2CCOCC2)c2c(n1Cc1ccccc1F)CCCC2=O
InChIInChI=1S/C22H25FN2O3/c1-15-17(13-21(27)24-9-11-28-12-10-24)22-19(7-4-8-20(22)26)25(15)14-16-5-2-3-6-18(16)23/h2-3,5-6H,4,7-14H2,1H3
InChIKeyKHHSUCBDPBMDKK-UHFFFAOYSA-N
XLogP2.90
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one with MolForge

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide
CID 42403520
1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
CID 42565620
6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one
CID 23601497
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 51074617
2-(3-chloro-4-methylphenyl)-4-[(2-fluorophenyl)methyl]-6-(morpholine-4-carbonyl)-1,2,4-triazine-3,5-dione
CID 42836400
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 25385572
[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
CID 42789636
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 31114163
2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide
CID 42123027
5-fluoro-3-(2-morpholin-4-yl-2-oxoethyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
CID 58900225
2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone
CID 110739662
3-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 110712379

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one (CID 42123586) is 1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one is Cc1c(CC(=O)N2CCOCC2)c2c(n1Cc1ccccc1F)CCCC2=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is KHHSUCBDPBMDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-15-17(13-21(27)24-9-11-28-12-10-24)22-19(7-4-8-20(22)26)25(15)14-16-5-2-3-6-18(16)23/h2-3,5-6H,4,7-14H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one?
1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 384.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 42123586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).