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

C20H23FN2O2 — CID 42157239

IUPAC2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide
SMILESCc1c(CC(=O)N(C)C)c2c(n1Cc1ccc(F)cc1)CCCC2=O
InChIInChI=1S/C20H23FN2O2/c1-13-16(11-19(25)22(2)3)20-17(5-4-6-18(20)24)23(13)12-14-7-9-15(21)10-8-14/h7-10H,4-6,11-12H2,1-3H3
InChIKeyIGGXCFDOBFDENT-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.13
Rot. Bonds4

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

2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide (PubChem CID 42157239) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide
PubChem CID42157239
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide
SMILESCc1c(CC(=O)N(C)C)c2c(n1Cc1ccc(F)cc1)CCCC2=O
InChIInChI=1S/C20H23FN2O2/c1-13-16(11-19(25)22(2)3)20-17(5-4-6-18(20)24)23(13)12-14-7-9-15(21)10-8-14/h7-10H,4-6,11-12H2,1-3H3
InChIKeyIGGXCFDOBFDENT-UHFFFAOYSA-N
XLogP3.13
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide (CID 42157239) is 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide is Cc1c(CC(=O)N(C)C)c2c(n1Cc1ccc(F)cc1)CCCC2=O.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide?
The InChIKey is IGGXCFDOBFDENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13-16(11-19(25)22(2)3)20-17(5-4-6-18(20)24)23(13)12-14-7-9-15(21)10-8-14/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide?
2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide has a molecular weight of 342.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 42157239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).