N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide

C20H16ClF3N2O3 — CID 3546380

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClF3N2O3/c21-13-5-7-14(8-6-13)29-10-9-25-18(27)12-26-11-16(19(28)20(22,23)24)15-3-1-2-4-17(15)26/h1-8,11H,9-10,12H2,(H,25,27)
InChIKeyUVHIFVDFPOXQEP-UHFFFAOYSA-N
MW424.81 g/mol
LogP4.23
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide

N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide (PubChem CID 3546380) has the molecular formula C20H16ClF3N2O3 and a molecular weight of 424.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
PubChem CID3546380
Molecular FormulaC20H16ClF3N2O3
Molecular Weight424.81 g/mol
Exact Mass424.08
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClF3N2O3/c21-13-5-7-14(8-6-13)29-10-9-25-18(27)12-26-11-16(19(28)20(22,23)24)15-3-1-2-4-17(15)26/h1-8,11H,9-10,12H2,(H,25,27)
InChIKeyUVHIFVDFPOXQEP-UHFFFAOYSA-N
XLogP4.23
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 54.23
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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Related Compounds

2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid
CID 3154371
2-[5-bromo-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 50895879
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 2174755
2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone
CID 3393871
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803102
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 3155645
2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 113099511
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
2-(3-acetylindol-1-yl)-N-propylacetamide
CID 117098452
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 164781411

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide (CID 3546380) is N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide is O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
The InChIKey is UVHIFVDFPOXQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O3/c21-13-5-7-14(8-6-13)29-10-9-25-18(27)12-26-11-16(19(28)20(22,23)24)15-3-1-2-4-17(15)26/h1-8,11H,9-10,12H2,(H,25,27).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide has a molecular weight of 424.81 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide is sourced from PubChem (CID 3546380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).