8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide

C22H24FN3O2 — CID 11326500

IUPAC8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1CC(NCCCCn1ccc3ccccc31)CO2
InChIInChI=1S/C22H24FN3O2/c23-19-8-7-17(22(24)27)18-13-16(14-28-21(18)19)25-10-3-4-11-26-12-9-15-5-1-2-6-20(15)26/h1-2,5-9,12,16,25H,3-4,10-11,13-14H2,(H2,24,27)
InChIKeyRYANQTMJLWBXDA-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.25
Rot. Bonds7

About 8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide

8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 11326500) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID11326500
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1CC(NCCCCn1ccc3ccccc31)CO2
InChIInChI=1S/C22H24FN3O2/c23-19-8-7-17(22(24)27)18-13-16(14-28-21(18)19)25-10-3-4-11-26-12-9-15-5-1-2-6-20(15)26/h1-2,5-9,12,16,25H,3-4,10-11,13-14H2,(H2,24,27)
InChIKeyRYANQTMJLWBXDA-UHFFFAOYSA-N
XLogP3.25
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclobutyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 25139066
3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
CID 25139916
3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 25139914
1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
CID 118729062
N-(3-indol-1-ylpropyl)cyclooctanamine
CID 29267524
N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine
CID 28716039
N-(2-indol-1-ylethyl)cyclopropanamine
CID 62562475
2-fluoro-N-(2-indol-1-ylethyl)aniline
CID 62562125
formic acid;5-(3-indol-1-ylpropylamino)azepan-2-one
CID 154913019
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
N-(3-indol-1-ylpropyl)-1,1-dioxothian-3-amine
CID 63910668
3-indol-1-ylpropan-1-amine
CID 2512786

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide (CID 11326500) is 8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide is NC(=O)c1ccc(F)c2c1CC(NCCCCn1ccc3ccccc31)CO2.
What is the InChIKey of 8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is RYANQTMJLWBXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-19-8-7-17(22(24)27)18-13-16(14-28-21(18)19)25-10-3-4-11-26-12-9-15-5-1-2-6-20(15)26/h1-2,5-9,12,16,25H,3-4,10-11,13-14H2,(H2,24,27).
What are the key properties of 8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide?
8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 11326500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).