methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate

C16H23FN2O2 — CID 103501880

IUPACmethyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate
SMILESCCCNC(CCN1CCc2ccc(F)cc21)C(=O)OC
InChIInChI=1S/C16H23FN2O2/c1-3-8-18-14(16(20)21-2)7-10-19-9-6-12-4-5-13(17)11-15(12)19/h4-5,11,14,18H,3,6-10H2,1-2H3
InChIKeyAHJQXDFBGXQDJD-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.12
Rot. Bonds7

About methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate

methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate (PubChem CID 103501880) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate
PubChem CID103501880
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Namemethyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate
SMILESCCCNC(CCN1CCc2ccc(F)cc21)C(=O)OC
InChIInChI=1S/C16H23FN2O2/c1-3-8-18-14(16(20)21-2)7-10-19-9-6-12-4-5-13(17)11-15(12)19/h4-5,11,14,18H,3,6-10H2,1-2H3
InChIKeyAHJQXDFBGXQDJD-UHFFFAOYSA-N
XLogP2.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate?
The IUPAC name of methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate (CID 103501880) is methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate is CCCNC(CCN1CCc2ccc(F)cc21)C(=O)OC.
What is the InChIKey of methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate?
The InChIKey is AHJQXDFBGXQDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-8-18-14(16(20)21-2)7-10-19-9-6-12-4-5-13(17)11-15(12)19/h4-5,11,14,18H,3,6-10H2,1-2H3.
What are the key properties of methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate?
methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate has a molecular weight of 294.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate is sourced from PubChem (CID 103501880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).