2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide

C17H15F4N3O2 — CID 31418097

IUPAC2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)Nc2cccc(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C17H15F4N3O2/c1-10(25)23-13-5-6-15(14(8-13)17(19,20)21)22-9-16(26)24-12-4-2-3-11(18)7-12/h2-8,22H,9H2,1H3,(H,23,25)(H,24,26)
InChIKeyABSRQOXORALKNY-UHFFFAOYSA-N
MW369.32 g/mol
LogP3.85
Rot. Bonds5

About 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide

2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide (PubChem CID 31418097) has the molecular formula C17H15F4N3O2 and a molecular weight of 369.32 g/mol. Its IUPAC name is 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
PubChem CID31418097
Molecular FormulaC17H15F4N3O2
Molecular Weight369.32 g/mol
Exact Mass369.11
IUPAC Name2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)Nc2cccc(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C17H15F4N3O2/c1-10(25)23-13-5-6-15(14(8-13)17(19,20)21)22-9-16(26)24-12-4-2-3-11(18)7-12/h2-8,22H,9H2,1H3,(H,23,25)(H,24,26)
InChIKeyABSRQOXORALKNY-UHFFFAOYSA-N
XLogP3.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 109010763
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 109009674
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide
CID 31418044
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide
CID 32915177
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29046314
N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
CID 42070161
2-(2-ethylanilino)-N-(3-fluorophenyl)acetamide
CID 9105176
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide
CID 115626967

Frequently Asked Questions

What is the IUPAC name of 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide (CID 31418097) is 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide is CC(=O)Nc1ccc(NCC(=O)Nc2cccc(F)c2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide?
The InChIKey is ABSRQOXORALKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O2/c1-10(25)23-13-5-6-15(14(8-13)17(19,20)21)22-9-16(26)24-12-4-2-3-11(18)7-12/h2-8,22H,9H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide?
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide has a molecular weight of 369.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 31418097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).