2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide

C12H14F3N3O2 — CID 37176536

IUPAC2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c1-8(19)18-10-4-2-3-9(5-10)16-6-11(20)17-7-12(13,14)15/h2-5,16H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyQYXWMZHUIUQQJN-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.74
Rot. Bonds5

About 2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 37176536) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID37176536
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c1-8(19)18-10-4-2-3-9(5-10)16-6-11(20)17-7-12(13,14)15/h2-5,16H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyQYXWMZHUIUQQJN-UHFFFAOYSA-N
XLogP1.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
2-(3-acetamidoanilino)-N-prop-2-enylacetamide
CID 54831608
2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995310
2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840537
2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37231584
2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54831443
2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 109006850
1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 84682465

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 37176536) is 2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)Nc1cccc(NCC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QYXWMZHUIUQQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-8(19)18-10-4-2-3-9(5-10)16-6-11(20)17-7-12(13,14)15/h2-5,16H,6-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 289.26 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 37176536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).