8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide

C23H25F2N3O2 — CID 11177435

IUPAC8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C23H25F2N3O2/c1-2-8-28(9-7-14-12-27-21-6-3-15(24)10-18(14)21)16-11-19-17(23(26)29)4-5-20(25)22(19)30-13-16/h3-6,10,12,16,27H,2,7-9,11,13H2,1H3,(H2,26,29)
InChIKeyUTWODMYAWGDPAE-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.80
Rot. Bonds7

About 8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide

8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 11177435) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is 8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID11177435
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C23H25F2N3O2/c1-2-8-28(9-7-14-12-27-21-6-3-15(24)10-18(14)21)16-11-19-17(23(26)29)4-5-20(25)22(19)30-13-16/h3-6,10,12,16,27H,2,7-9,11,13H2,1H3,(H2,26,29)
InChIKeyUTWODMYAWGDPAE-UHFFFAOYSA-N
XLogP3.80
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide (CID 11177435) is 8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide is CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1.
What is the InChIKey of 8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is UTWODMYAWGDPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c1-2-8-28(9-7-14-12-27-21-6-3-15(24)10-18(14)21)16-11-19-17(23(26)29)4-5-20(25)22(19)30-13-16/h3-6,10,12,16,27H,2,7-9,11,13H2,1H3,(H2,26,29).
What are the key properties of 8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 11177435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).