(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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Related Compounds

[2-(aminomethyl)cyclopentyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103822177
3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid
CID 103953312
(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 113235710
(6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 103822175
(3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid
CID 103499981
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119310101
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexan-1-amine
CID 103497070
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
1-(cyclopentanecarbonyl)-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635059
(6-fluoro-2,3-dihydroindol-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 103494882
N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide
CID 103496998

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).