[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone

C24H19ClFNO2 — CID 3642878

IUPAC[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1cn(CCCOc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C24H19ClFNO2/c25-20-10-3-6-13-23(20)29-15-7-14-27-16-19(17-8-2-5-12-22(17)27)24(28)18-9-1-4-11-21(18)26/h1-6,8-13,16H,7,14-15H2
InChIKeyGMCBHWUUDQKSQK-UHFFFAOYSA-N
MW407.87 g/mol
LogP6.13
Rot. Bonds7

About [1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone

[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone (PubChem CID 3642878) has the molecular formula C24H19ClFNO2 and a molecular weight of 407.87 g/mol. Its IUPAC name is [1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone
PubChem CID3642878
Molecular FormulaC24H19ClFNO2
Molecular Weight407.87 g/mol
Exact Mass407.11
IUPAC Name[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1cn(CCCOc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C24H19ClFNO2/c25-20-10-3-6-13-23(20)29-15-7-14-27-16-19(17-8-2-5-12-22(17)27)24(28)18-9-1-4-11-21(18)26/h1-6,8-13,16H,7,14-15H2
InChIKeyGMCBHWUUDQKSQK-UHFFFAOYSA-N
XLogP6.13
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.87
LogP ≤ 56.13
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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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone (CID 3642878) is [1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)c1cn(CCCOc2ccccc2Cl)c2ccccc12.
What is the InChIKey of [1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone?
The InChIKey is GMCBHWUUDQKSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFNO2/c25-20-10-3-6-13-23(20)29-15-7-14-27-16-19(17-8-2-5-12-22(17)27)24(28)18-9-1-4-11-21(18)26/h1-6,8-13,16H,7,14-15H2.
What are the key properties of [1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone?
[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone has a molecular weight of 407.87 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 3642878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).