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

C23H25ClFN3O2 — CID 69437957

IUPAC3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCN(CCCc1c[nH]c2ccc(Cl)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C23H25ClFN3O2/c1-2-28(9-3-4-14-12-27-21-8-5-15(24)10-18(14)21)16-11-19-17(23(26)29)6-7-20(25)22(19)30-13-16/h5-8,10,12,16,27H,2-4,9,11,13H2,1H3,(H2,26,29)
InChIKeyBFGKRBPEOGAQNP-UHFFFAOYSA-N
MW429.92 g/mol
LogP4.32
Rot. Bonds7

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

3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 69437957) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol. Its IUPAC name is 3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID69437957
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC Name3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCN(CCCc1c[nH]c2ccc(Cl)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C23H25ClFN3O2/c1-2-28(9-3-4-14-12-27-21-8-5-15(24)10-18(14)21)16-11-19-17(23(26)29)6-7-20(25)22(19)30-13-16/h5-8,10,12,16,27H,2-4,9,11,13H2,1H3,(H2,26,29)
InChIKeyBFGKRBPEOGAQNP-UHFFFAOYSA-N
XLogP4.32
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (CID 69437957) is 3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is CCN(CCCc1c[nH]c2ccc(Cl)cc12)C1COc2c(F)ccc(C(N)=O)c2C1.
What is the InChIKey of 3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is BFGKRBPEOGAQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O2/c1-2-28(9-3-4-14-12-27-21-8-5-15(24)10-18(14)21)16-11-19-17(23(26)29)6-7-20(25)22(19)30-13-16/h5-8,10,12,16,27H,2-4,9,11,13H2,1H3,(H2,26,29).
What are the key properties of 3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 429.92 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 69437957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).