1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one

C19H19F2NO2 — CID 123170585

IUPAC1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1c2cc(F)c(F)cc2CC1C
InChIInChI=1S/C19H19F2NO2/c1-12-8-15-9-16(20)17(21)10-18(15)22(12)19(23)13(2)24-11-14-6-4-3-5-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3
InChIKeyKGQPNDHDJYCALK-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.85
Rot. Bonds4

About 1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one

1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one (PubChem CID 123170585) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one.

Molecular Properties

Compound Name1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one
PubChem CID123170585
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1c2cc(F)c(F)cc2CC1C
InChIInChI=1S/C19H19F2NO2/c1-12-8-15-9-16(20)17(21)10-18(15)22(12)19(23)13(2)24-11-14-6-4-3-5-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3
InChIKeyKGQPNDHDJYCALK-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one?
The IUPAC name of 1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one (CID 123170585) is 1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one.
What is the SMILES notation for 1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one?
The canonical SMILES for 1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one is CC(OCc1ccccc1)C(=O)N1c2cc(F)c(F)cc2CC1C.
What is the InChIKey of 1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one?
The InChIKey is KGQPNDHDJYCALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-12-8-15-9-16(20)17(21)10-18(15)22(12)19(23)13(2)24-11-14-6-4-3-5-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3.
What are the key properties of 1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one?
1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one has a molecular weight of 331.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-phenylmethoxypropan-1-one is sourced from PubChem (CID 123170585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).