2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide

C18H21F3N2O3 — CID 3155645

IUPAC2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)NCCCOC)c12
InChIInChI=1S/C18H21F3N2O3/c1-3-12-6-4-7-13-14(17(25)18(19,20)21)10-23(16(12)13)11-15(24)22-8-5-9-26-2/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,22,24)
InChIKeyRWEOFOMFPGJODD-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.10
Rot. Bonds8

About 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide

2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 3155645) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID3155645
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)NCCCOC)c12
InChIInChI=1S/C18H21F3N2O3/c1-3-12-6-4-7-13-14(17(25)18(19,20)21)10-23(16(12)13)11-15(24)22-8-5-9-26-2/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,22,24)
InChIKeyRWEOFOMFPGJODD-UHFFFAOYSA-N
XLogP3.10
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide (CID 3155645) is 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide is CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)NCCCOC)c12.
What is the InChIKey of 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is RWEOFOMFPGJODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c1-3-12-6-4-7-13-14(17(25)18(19,20)21)10-23(16(12)13)11-15(24)22-8-5-9-26-2/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,22,24).
What are the key properties of 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 370.37 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 3155645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).