2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one

C18H15ClFNO — CID 11565910

IUPAC2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1cc2ccc(F)cc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFNO/c1-18(2,12-4-6-13(19)7-5-12)17(22)16-9-11-3-8-14(20)10-15(11)21-16/h3-10,21H,1-2H3
InChIKeyXISCAESWJRNIOY-UHFFFAOYSA-N
MW315.78 g/mol
LogP5.12
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one

2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one (PubChem CID 11565910) has the molecular formula C18H15ClFNO and a molecular weight of 315.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one
PubChem CID11565910
Molecular FormulaC18H15ClFNO
Molecular Weight315.78 g/mol
Exact Mass315.08
IUPAC Name2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1cc2ccc(F)cc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFNO/c1-18(2,12-4-6-13(19)7-5-12)17(22)16-9-11-3-8-14(20)10-15(11)21-16/h3-10,21H,1-2H3
InChIKeyXISCAESWJRNIOY-UHFFFAOYSA-N
XLogP5.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.78
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one (CID 11565910) is 2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one is CC(C)(C(=O)c1cc2ccc(F)cc2[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one?
The InChIKey is XISCAESWJRNIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO/c1-18(2,12-4-6-13(19)7-5-12)17(22)16-9-11-3-8-14(20)10-15(11)21-16/h3-10,21H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one?
2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one has a molecular weight of 315.78 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 11565910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).