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

C24H27F2N3O2 — CID 11327798

IUPAC3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C24H27F2N3O2/c1-2-29(10-4-3-5-15-13-28-22-9-6-16(25)11-19(15)22)17-12-20-18(24(27)30)7-8-21(26)23(20)31-14-17/h6-9,11,13,17,28H,2-5,10,12,14H2,1H3,(H2,27,30)
InChIKeyNGERZXQKWVCCOB-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.19
Rot. Bonds8

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

3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 11327798) has the molecular formula C24H27F2N3O2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID11327798
Molecular FormulaC24H27F2N3O2
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C24H27F2N3O2/c1-2-29(10-4-3-5-15-13-28-22-9-6-16(25)11-19(15)22)17-12-20-18(24(27)30)7-8-21(26)23(20)31-14-17/h6-9,11,13,17,28H,2-5,10,12,14H2,1H3,(H2,27,30)
InChIKeyNGERZXQKWVCCOB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (CID 11327798) is 3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is CCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1.
What is the InChIKey of 3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is NGERZXQKWVCCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2/c1-2-29(10-4-3-5-15-13-28-22-9-6-16(25)11-19(15)22)17-12-20-18(24(27)30)7-8-21(26)23(20)31-14-17/h6-9,11,13,17,28H,2-5,10,12,14H2,1H3,(H2,27,30).
What are the key properties of 3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-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 3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 11327798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).