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

C24H27ClFN3O2 — CID 91073593

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

3-[3-(5-chloro-1H-indol-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 91073593) has the molecular formula C24H27ClFN3O2 and a molecular weight of 443.95 g/mol. Its IUPAC name is 3-[3-(5-chloro-1H-indol-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[3-(5-chloro-1H-indol-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide
• PubChem CID: 91073593
• Molecular Formula: C24H27ClFN3O2
• Molecular Weight: 443.95 g/mol
• Exact Mass: 443.18
• IUPAC Name: 3-[3-(5-chloro-1H-indol-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide
• SMILES: CCCN(CCCc1c[nH]c2ccc(Cl)cc12)C1Cc2cccc(F)c2OC1C(N)=O
• InChI: InChI=1S/C24H27ClFN3O2/c1-2-10-29(11-4-6-16-14-28-20-9-8-17(25)13-18(16)20)21-12-15-5-3-7-19(26)22(15)31-23(21)24(27)30/h3,5,7-9,13-14,21,23,28H,2,4,6,10-12H2,1H3,(H2,27,30)
• InChIKey: CRNPSTWJMNUAKJ-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 71.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.95
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-chloro-1H-indol-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide?

The IUPAC name of 3-[3-(5-chloro-1H-indol-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide (CID 91073593) is 3-[3-(5-chloro-1H-indol-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide.

What is the SMILES notation for 3-[3-(5-chloro-1H-indol-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide?

The canonical SMILES for 3-[3-(5-chloro-1H-indol-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide is CCCN(CCCc1c[nH]c2ccc(Cl)cc12)C1Cc2cccc(F)c2OC1C(N)=O.

What is the InChIKey of 3-[3-(5-chloro-1H-indol-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide?

The InChIKey is CRNPSTWJMNUAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN3O2/c1-2-10-29(11-4-6-16-14-28-20-9-8-17(25)13-18(16)20)21-12-15-5-3-7-19(26)22(15)31-23(21)24(27)30/h3,5,7-9,13-14,21,23,28H,2,4,6,10-12H2,1H3,(H2,27,30).

What are the key properties of 3-[3-(5-chloro-1H-indol-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide?

3-[3-(5-chloro-1H-indol-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 443.95 g/mol, XLogP of 4.46, 8 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-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 91073593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).