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

C24H27F2N3O2 — CID 11373704

IUPAC8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C24H27F2N3O2/c1-2-9-29(10-3-4-15-13-28-22-8-5-16(25)11-19(15)22)17-12-20-18(24(27)30)6-7-21(26)23(20)31-14-17/h5-8,11,13,17,28H,2-4,9-10,12,14H2,1H3,(H2,27,30)
InChIKeyJNVDPIPWLMZECZ-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.19
Rot. Bonds8

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

8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 11373704) has the molecular formula C24H27F2N3O2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID11373704
Molecular FormulaC24H27F2N3O2
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C24H27F2N3O2/c1-2-9-29(10-3-4-15-13-28-22-8-5-16(25)11-19(15)22)17-12-20-18(24(27)30)6-7-21(26)23(20)31-14-17/h5-8,11,13,17,28H,2-4,9-10,12,14H2,1H3,(H2,27,30)
InChIKeyJNVDPIPWLMZECZ-UHFFFAOYSA-N
XLogP4.19
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide (CID 11373704) is 8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide is CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1.
What is the InChIKey of 8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is JNVDPIPWLMZECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2/c1-2-9-29(10-3-4-15-13-28-22-8-5-16(25)11-19(15)22)17-12-20-18(24(27)30)6-7-21(26)23(20)31-14-17/h5-8,11,13,17,28H,2-4,9-10,12,14H2,1H3,(H2,27,30).
What are the key properties of 8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 11373704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).