2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide

C18H17F3N2O2 — CID 113169007

IUPAC2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(C)c1C
InChIInChI=1S/C18H17F3N2O2/c1-10-5-4-6-15(11(10)2)23(12(3)24)9-16(25)22-14-8-7-13(19)17(20)18(14)21/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyVPHFLLTYUZXBEV-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.71
Rot. Bonds4

About 2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide

2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113169007) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113169007
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(C)c1C
InChIInChI=1S/C18H17F3N2O2/c1-10-5-4-6-15(11(10)2)23(12(3)24)9-16(25)22-14-8-7-13(19)17(20)18(14)21/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyVPHFLLTYUZXBEV-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-2,3-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113168914
2-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167429
2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113177755
2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113169003
2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113168967
2-(N-acetyl-2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113171195
2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113181013
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174807
methyl 3-[[2-(N-acetyl-2,3-dimethylanilino)acetyl]amino]benzoate
CID 113168964
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 2657991
2-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 113170823
2-(N-acetyl-2-fluoroanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113170822

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide (CID 113169007) is 2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(C)c1C.
What is the InChIKey of 2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is VPHFLLTYUZXBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-10-5-4-6-15(11(10)2)23(12(3)24)9-16(25)22-14-8-7-13(19)17(20)18(14)21/h4-8H,9H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 350.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113169007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).