2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

C22H16ClF3N2O2 — CID 2426723

IUPAC2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16ClF3N2O2/c23-16-9-10-19(18(12-16)21(30)14-5-2-1-3-6-14)27-13-20(29)28-17-8-4-7-15(11-17)22(24,25)26/h1-12,27H,13H2,(H,28,29)
InChIKeyCAEGCGITXDGTRK-UHFFFAOYSA-N
MW432.83 g/mol
LogP5.64
Rot. Bonds6

About 2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2426723) has the molecular formula C22H16ClF3N2O2 and a molecular weight of 432.83 g/mol. Its IUPAC name is 2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2426723
Molecular FormulaC22H16ClF3N2O2
Molecular Weight432.83 g/mol
Exact Mass432.09
IUPAC Name2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16ClF3N2O2/c23-16-9-10-19(18(12-16)21(30)14-5-2-1-3-6-14)27-13-20(29)28-17-8-4-7-15(11-17)22(24,25)26/h1-12,27H,13H2,(H,28,29)
InChIKeyCAEGCGITXDGTRK-UHFFFAOYSA-N
XLogP5.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.83
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
CID 54811786
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 109010763
2-(2-benzoyl-4-chloroanilino)acetate
CID 4162627
4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2992727
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
N-(3-acetylphenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 109009852
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
3-[[2-(2-methoxyanilino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54817220
2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998161

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2426723) is 2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CNc1ccc(Cl)cc1C(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CAEGCGITXDGTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N2O2/c23-16-9-10-19(18(12-16)21(30)14-5-2-1-3-6-14)27-13-20(29)28-17-8-4-7-15(11-17)22(24,25)26/h1-12,27H,13H2,(H,28,29).
What are the key properties of 2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 432.83 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2426723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).