3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide

C12H15FN2O — CID 130269379

IUPAC3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1CCc2ccc(F)cc21
InChIInChI=1S/C12H15FN2O/c1-14-12(16)5-7-15-6-4-9-2-3-10(13)8-11(9)15/h2-3,8H,4-7H2,1H3,(H,14,16)
InChIKeyNWCSNPIBKILRQC-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.32
Rot. Bonds3

About 3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide

3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide (PubChem CID 130269379) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
PubChem CID130269379
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1CCc2ccc(F)cc21
InChIInChI=1S/C12H15FN2O/c1-14-12(16)5-7-15-6-4-9-2-3-10(13)8-11(9)15/h2-3,8H,4-7H2,1H3,(H,14,16)
InChIKeyNWCSNPIBKILRQC-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
CID 103503791
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103502441
3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 103502450
5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 103501869
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 103503977
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide (CID 130269379) is 3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide is CNC(=O)CCN1CCc2ccc(F)cc21.
What is the InChIKey of 3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide?
The InChIKey is NWCSNPIBKILRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-14-12(16)5-7-15-6-4-9-2-3-10(13)8-11(9)15/h2-3,8H,4-7H2,1H3,(H,14,16).
What are the key properties of 3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide?
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide has a molecular weight of 222.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 130269379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).