2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide

C17H16F4N2O — CID 86886800

IUPAC2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide
SMILESO=C(CNc1cc(C(F)(F)F)ccc1F)NCCc1ccccc1
InChIInChI=1S/C17H16F4N2O/c18-14-7-6-13(17(19,20)21)10-15(14)23-11-16(24)22-9-8-12-4-2-1-3-5-12/h1-7,10,23H,8-9,11H2,(H,22,24)
InChIKeyQXRXQRQJXBGGTF-UHFFFAOYSA-N
MW340.32 g/mol
LogP3.62
Rot. Bonds6

About 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide

2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide (PubChem CID 86886800) has the molecular formula C17H16F4N2O and a molecular weight of 340.32 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide
PubChem CID86886800
Molecular FormulaC17H16F4N2O
Molecular Weight340.32 g/mol
Exact Mass340.12
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide
SMILESO=C(CNc1cc(C(F)(F)F)ccc1F)NCCc1ccccc1
InChIInChI=1S/C17H16F4N2O/c18-14-7-6-13(17(19,20)21)10-15(14)23-11-16(24)22-9-8-12-4-2-1-3-5-12/h1-7,10,23H,8-9,11H2,(H,22,24)
InChIKeyQXRXQRQJXBGGTF-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63036661
2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline
CID 63462918
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
N-[2-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000567
2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 26439038
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
N-[2-(2-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000338
N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998258
4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide
CID 134093579
N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 42070595
2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-(2-phenylethyl)acetamide
CID 2973220
N-(2-phenylethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 17440632

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide (CID 86886800) is 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide is O=C(CNc1cc(C(F)(F)F)ccc1F)NCCc1ccccc1.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide?
The InChIKey is QXRXQRQJXBGGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O/c18-14-7-6-13(17(19,20)21)10-15(14)23-11-16(24)22-9-8-12-4-2-1-3-5-12/h1-7,10,23H,8-9,11H2,(H,22,24).
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide?
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide has a molecular weight of 340.32 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 86886800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).