2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide

C21H25FN2O3 — CID 42403520

IUPAC2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1c2c(n(Cc3ccccc3F)c1C)CCCC2=O
InChIInChI=1S/C21H25FN2O3/c1-14-16(12-20(26)23-10-11-27-2)21-18(8-5-9-19(21)25)24(14)13-15-6-3-4-7-17(15)22/h3-4,6-7H,5,8-13H2,1-2H3,(H,23,26)
InChIKeyBAMDJKSYXGXWDV-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.81
Rot. Bonds7

About 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide

2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 42403520) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide
PubChem CID42403520
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1c2c(n(Cc3ccccc3F)c1C)CCCC2=O
InChIInChI=1S/C21H25FN2O3/c1-14-16(12-20(26)23-10-11-27-2)21-18(8-5-9-19(21)25)24(14)13-15-6-3-4-7-17(15)22/h3-4,6-7H,5,8-13H2,1-2H3,(H,23,26)
InChIKeyBAMDJKSYXGXWDV-UHFFFAOYSA-N
XLogP2.81
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 25364133
1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one
CID 42123586
N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide
CID 45213080
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide
CID 25377422
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2-methoxyethyl)acetamide
CID 23601551
4-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 42835818
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 25385572
2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide
CID 42157239
1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
CID 42190267
2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 26394887
1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 25249290
3-[2-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 109015003

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide (CID 42403520) is 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1c2c(n(Cc3ccccc3F)c1C)CCCC2=O.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is BAMDJKSYXGXWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-14-16(12-20(26)23-10-11-27-2)21-18(8-5-9-19(21)25)24(14)13-15-6-3-4-7-17(15)22/h3-4,6-7H,5,8-13H2,1-2H3,(H,23,26).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide?
2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 372.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 42403520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).