5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide

C15H22FN3O — CID 103501869

IUPAC5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CCCN1CCc2ccc(F)cc21)C(N)=O
InChIInChI=1S/C15H22FN3O/c1-15(18-2,14(17)20)7-3-8-19-9-6-11-4-5-12(16)10-13(11)19/h4-5,10,18H,3,6-9H2,1-2H3,(H2,17,20)
InChIKeyMSVBTXGHYYDHTJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.43
Rot. Bonds6

About 5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide

5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide (PubChem CID 103501869) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide
PubChem CID103501869
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CCCN1CCc2ccc(F)cc21)C(N)=O
InChIInChI=1S/C15H22FN3O/c1-15(18-2,14(17)20)7-3-8-19-9-6-11-4-5-12(16)10-13(11)19/h4-5,10,18H,3,6-9H2,1-2H3,(H2,17,20)
InChIKeyMSVBTXGHYYDHTJ-UHFFFAOYSA-N
XLogP1.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 103503977
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide
CID 103501897
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
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)-N-methylpentan-1-amine
CID 103503121
4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide
CID 103495730
4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
CID 103503791
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 103501934
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of 5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide (CID 103501869) is 5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for 5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for 5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide is CNC(C)(CCCN1CCc2ccc(F)cc21)C(N)=O.
What is the InChIKey of 5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide?
The InChIKey is MSVBTXGHYYDHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-15(18-2,14(17)20)7-3-8-19-9-6-11-4-5-12(16)10-13(11)19/h4-5,10,18H,3,6-9H2,1-2H3,(H2,17,20).
What are the key properties of 5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide?
5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide has a molecular weight of 279.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 103501869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).