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

C24H17F3N2O2 — CID 2974288

IUPAC2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H17F3N2O2/c25-24(26,27)17-9-6-10-18(13-17)28-22(30)15-29-14-20(19-11-4-5-12-21(19)29)23(31)16-7-2-1-3-8-16/h1-14H,15H2,(H,28,30)
InChIKeyNGHRBBGLZZFATH-UHFFFAOYSA-N
MW422.41 g/mol
LogP5.53
Rot. Bonds5

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

2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2974288) has the molecular formula C24H17F3N2O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2974288
Molecular FormulaC24H17F3N2O2
Molecular Weight422.41 g/mol
Exact Mass422.12
IUPAC Name2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H17F3N2O2/c25-24(26,27)17-9-6-10-18(13-17)28-22(30)15-29-14-20(19-11-4-5-12-21(19)29)23(31)16-7-2-1-3-8-16/h1-14H,15H2,(H,28,30)
InChIKeyNGHRBBGLZZFATH-UHFFFAOYSA-N
XLogP5.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1255387
2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21380516
2-(3-benzoylindol-1-yl)-N-(4-bromophenyl)acetamide
CID 2953380
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 2953381
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-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20929836
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20902590
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide
CID 18560099
2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2426723
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2974288) is 2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NGHRBBGLZZFATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O2/c25-24(26,27)17-9-6-10-18(13-17)28-22(30)15-29-14-20(19-11-4-5-12-21(19)29)23(31)16-7-2-1-3-8-16/h1-14H,15H2,(H,28,30).
What are the key properties of 2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 422.41 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2974288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).