[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone

C23H25ClN2O2 — CID 178132526

IUPAC[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(CCCCc2ccccc2Cl)c2ccccc12)N1CCOCC1
InChIInChI=1S/C23H25ClN2O2/c24-21-10-3-1-7-18(21)8-5-6-12-26-17-20(19-9-2-4-11-22(19)26)23(27)25-13-15-28-16-14-25/h1-4,7,9-11,17H,5-6,8,12-16H2
InChIKeyBQVFHYMAHIRMNQ-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.79
Rot. Bonds6

About [1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone

[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone (PubChem CID 178132526) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is [1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
PubChem CID178132526
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(CCCCc2ccccc2Cl)c2ccccc12)N1CCOCC1
InChIInChI=1S/C23H25ClN2O2/c24-21-10-3-1-7-18(21)8-5-6-12-26-17-20(19-9-2-4-11-22(19)26)23(27)25-13-15-28-16-14-25/h1-4,7,9-11,17H,5-6,8,12-16H2
InChIKeyBQVFHYMAHIRMNQ-UHFFFAOYSA-N
XLogP4.79
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.79
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

[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
morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
CID 178132767
[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132538
[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132606
3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20899818
morpholin-4-yl-[1-[2-(2-phenylcyclopropyl)ethyl]indol-3-yl]methanone
CID 178132738
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone
CID 178132778
[4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone
CID 178132612
N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide
CID 178132617
[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 17465173
1-[1-[4-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]butyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 53248812

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone (CID 178132526) is [1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone is O=C(c1cn(CCCCc2ccccc2Cl)c2ccccc12)N1CCOCC1.
What is the InChIKey of [1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is BQVFHYMAHIRMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c24-21-10-3-1-7-18(21)8-5-6-12-26-17-20(19-9-2-4-11-22(19)26)23(27)25-13-15-28-16-14-25/h1-4,7,9-11,17H,5-6,8,12-16H2.
What are the key properties of [1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone?
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 396.92 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 178132526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).