3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide

C15H22FN3O — CID 103501897

IUPAC3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(CN1CCc2ccc(F)cc21)C(N)=O
InChIInChI=1S/C15H22FN3O/c1-10(2)18-15(3,14(17)20)9-19-7-6-11-4-5-12(16)8-13(11)19/h4-5,8,10,18H,6-7,9H2,1-3H3,(H2,17,20)
InChIKeyOHHIOMOSFSGIBP-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.43
Rot. Bonds5

About 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide

3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide (PubChem CID 103501897) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide
PubChem CID103501897
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(CN1CCc2ccc(F)cc21)C(N)=O
InChIInChI=1S/C15H22FN3O/c1-10(2)18-15(3,14(17)20)9-19-7-6-11-4-5-12(16)8-13(11)19/h4-5,8,10,18H,6-7,9H2,1-3H3,(H2,17,20)
InChIKeyOHHIOMOSFSGIBP-UHFFFAOYSA-N
XLogP1.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 103501908
5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 103501869
2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 103501934
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 103502593
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-2-ol
CID 103873387
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927
methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
CID 103501861
4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide
CID 103495730
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
1-cyclopentyl-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494909

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide (CID 103501897) is 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide is CC(C)NC(C)(CN1CCc2ccc(F)cc21)C(N)=O.
What is the InChIKey of 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide?
The InChIKey is OHHIOMOSFSGIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10(2)18-15(3,14(17)20)9-19-7-6-11-4-5-12(16)8-13(11)19/h4-5,8,10,18H,6-7,9H2,1-3H3,(H2,17,20).
What are the key properties of 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide?
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide has a molecular weight of 279.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 103501897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).