1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one

C18H15F2NO — CID 164998816

IUPAC1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one
SMILESC=C1Cc2cc(CC(=O)Cc3c(F)cccc3F)ccc2N1
InChIInChI=1S/C18H15F2NO/c1-11-7-13-8-12(5-6-18(13)21-11)9-14(22)10-15-16(19)3-2-4-17(15)20/h2-6,8,21H,1,7,9-10H2
InChIKeySPUNUYRHXUECFH-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.80
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one

1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one (PubChem CID 164998816) has the molecular formula C18H15F2NO and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one
PubChem CID164998816
Molecular FormulaC18H15F2NO
Molecular Weight299.32 g/mol
Exact Mass299.11
IUPAC Name1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one
SMILESC=C1Cc2cc(CC(=O)Cc3c(F)cccc3F)ccc2N1
InChIInChI=1S/C18H15F2NO/c1-11-7-13-8-12(5-6-18(13)21-11)9-14(22)10-15-16(19)3-2-4-17(15)20/h2-6,8,21H,1,7,9-10H2
InChIKeySPUNUYRHXUECFH-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one (CID 164998816) is 1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one is C=C1Cc2cc(CC(=O)Cc3c(F)cccc3F)ccc2N1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one?
The InChIKey is SPUNUYRHXUECFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO/c1-11-7-13-8-12(5-6-18(13)21-11)9-14(22)10-15-16(19)3-2-4-17(15)20/h2-6,8,21H,1,7,9-10H2.
What are the key properties of 1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one?
1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one has a molecular weight of 299.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one is sourced from PubChem (CID 164998816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).