2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone

C24H21FN2O — CID 18275114

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone
SMILESCN(CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)Cc1ccccc1F
InChIInChI=1S/C24H21FN2O/c1-27(15-18-11-5-7-13-20(18)25)16-22(28)23-19-12-6-8-14-21(19)26-24(23)17-9-3-2-4-10-17/h2-14,26H,15-16H2,1H3
InChIKeyCXRYQZYRADWKMC-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.29
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone

2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone (PubChem CID 18275114) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone
PubChem CID18275114
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone
SMILESCN(CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)Cc1ccccc1F
InChIInChI=1S/C24H21FN2O/c1-27(15-18-11-5-7-13-20(18)25)16-22(28)23-19-12-6-8-14-21(19)26-24(23)17-9-3-2-4-10-17/h2-14,26H,15-16H2,1H3
InChIKeyCXRYQZYRADWKMC-UHFFFAOYSA-N
XLogP5.29
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone (CID 18275114) is 2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone is CN(CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone?
The InChIKey is CXRYQZYRADWKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c1-27(15-18-11-5-7-13-20(18)25)16-22(28)23-19-12-6-8-14-21(19)26-24(23)17-9-3-2-4-10-17/h2-14,26H,15-16H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone?
2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone has a molecular weight of 372.44 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 18275114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).