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

C24H28FN3O2 — CID 44589076

IUPAC(3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2cccc(C(N)=O)c2C1
InChIInChI=1S/C24H28FN3O2/c1-2-10-28(11-4-5-16-14-27-22-9-8-17(25)12-20(16)22)18-13-21-19(24(26)29)6-3-7-23(21)30-15-18/h3,6-9,12,14,18,27H,2,4-5,10-11,13,15H2,1H3,(H2,26,29)/t18-/m1/s1
InChIKeyFTFDKAXJKYPQQO-GOSISDBHSA-N
MW409.51 g/mol
LogP4.05
Rot. Bonds8

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

(3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 44589076) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is (3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID44589076
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name(3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2cccc(C(N)=O)c2C1
InChIInChI=1S/C24H28FN3O2/c1-2-10-28(11-4-5-16-14-27-22-9-8-17(25)12-20(16)22)18-13-21-19(24(26)29)6-3-7-23(21)30-15-18/h3,6-9,12,14,18,27H,2,4-5,10-11,13,15H2,1H3,(H2,26,29)/t18-/m1/s1
InChIKeyFTFDKAXJKYPQQO-GOSISDBHSA-N
XLogP4.05
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of (3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide (CID 44589076) is (3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for (3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for (3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide is CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2cccc(C(N)=O)c2C1.
What is the InChIKey of (3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is FTFDKAXJKYPQQO-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-2-10-28(11-4-5-16-14-27-22-9-8-17(25)12-20(16)22)18-13-21-19(24(26)29)6-3-7-23(21)30-15-18/h3,6-9,12,14,18,27H,2,4-5,10-11,13,15H2,1H3,(H2,26,29)/t18-/m1/s1.
What are the key properties of (3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
(3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 44589076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).