2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C20H17F3N2O2 — CID 1255387

IUPAC2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCC(=O)c1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C20H17F3N2O2/c1-2-18(26)16-11-25(17-9-4-3-8-15(16)17)12-19(27)24-14-7-5-6-13(10-14)20(21,22)23/h3-11H,2,12H2,1H3,(H,24,27)
InChIKeyMBRZKDUMFABUPH-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.89
Rot. Bonds5

About 2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1255387) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1255387
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCC(=O)c1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C20H17F3N2O2/c1-2-18(26)16-11-25(17-9-4-3-8-15(16)17)12-19(27)24-14-7-5-6-13(10-14)20(21,22)23/h3-11H,2,12H2,1H3,(H,24,27)
InChIKeyMBRZKDUMFABUPH-UHFFFAOYSA-N
XLogP4.89
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2974288
2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21380516
N-(2-fluorophenyl)-2-(3-propanoylindol-1-yl)acetamide
CID 955255
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3715457
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20902590
2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17251194
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112779001
methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 84572802
2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1153856
2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20929836

Frequently Asked Questions

What is the IUPAC name of 2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1255387) is 2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is CCC(=O)c1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12.
What is the InChIKey of 2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MBRZKDUMFABUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-2-18(26)16-11-25(17-9-4-3-8-15(16)17)12-19(27)24-14-7-5-6-13(10-14)20(21,22)23/h3-11H,2,12H2,1H3,(H,24,27).
What are the key properties of 2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 374.36 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1255387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).