[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone

C23H25FN2O2 — CID 178132606

IUPAC[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(CCCCc2ccccc2)c2cc(F)ccc12)N1CCOCC1
InChIInChI=1S/C23H25FN2O2/c24-19-9-10-20-21(23(27)25-12-14-28-15-13-25)17-26(22(20)16-19)11-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17H,4-5,8,11-15H2
InChIKeyNJWPJQPPTUBYFN-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.28
Rot. Bonds6

About [6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone

[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone (PubChem CID 178132606) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is [6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
PubChem CID178132606
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(CCCCc2ccccc2)c2cc(F)ccc12)N1CCOCC1
InChIInChI=1S/C23H25FN2O2/c24-19-9-10-20-21(23(27)25-12-14-28-15-13-25)17-26(22(20)16-19)11-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17H,4-5,8,11-15H2
InChIKeyNJWPJQPPTUBYFN-UHFFFAOYSA-N
XLogP4.28
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132797
[4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone
CID 178132612
[1-[4-(3-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132747
[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132839
N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide
CID 178132617
[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132538
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone
CID 178132778
1-benzyl-6-fluoroindole-3-carboxylic acid
CID 23073198
4-[4-[4-methyl-3-(morpholine-4-carbonyl)indol-1-yl]butyl]benzoic acid
CID 178132818
methyl 3-[4-[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]butyl]benzoate
CID 177244684
morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
CID 178132767

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone (CID 178132606) is [6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone is O=C(c1cn(CCCCc2ccccc2)c2cc(F)ccc12)N1CCOCC1.
What is the InChIKey of [6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is NJWPJQPPTUBYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c24-19-9-10-20-21(23(27)25-12-14-28-15-13-25)17-26(22(20)16-19)11-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17H,4-5,8,11-15H2.
What are the key properties of [6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone?
[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 380.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 178132606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).