(2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C16H21FN2O — CID 103810197

IUPAC(2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESNC1CCCCCC1C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C16H21FN2O/c17-12-7-6-11-8-9-19(15(11)10-12)16(20)13-4-2-1-3-5-14(13)18/h6-7,10,13-14H,1-5,8-9,18H2
InChIKeyLTWHMLQBSTYFMR-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.62
Rot. Bonds1

About (2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

(2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 103810197) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is (2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID103810197
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name(2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESNC1CCCCCC1C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C16H21FN2O/c17-12-7-6-11-8-9-19(15(11)10-12)16(20)13-4-2-1-3-5-14(13)18/h6-7,10,13-14H,1-5,8-9,18H2
InChIKeyLTWHMLQBSTYFMR-UHFFFAOYSA-N
XLogP2.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 103810197) is (2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is NC1CCCCCC1C(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of (2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is LTWHMLQBSTYFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-12-7-6-11-8-9-19(15(11)10-12)16(20)13-4-2-1-3-5-14(13)18/h6-7,10,13-14H,1-5,8-9,18H2.
What are the key properties of (2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
(2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 276.35 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 103810197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).