2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide

C19H19F3N2O3 — CID 17414348

IUPAC2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1
InChIInChI=1S/C19H19F3N2O3/c1-12(25)13-4-7-15(8-5-13)27-11-18(26)23-16-10-14(19(20,21)22)6-9-17(16)24(2)3/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyQPHYVDQBROHRHX-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.99
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide

2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 17414348) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID17414348
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1
InChIInChI=1S/C19H19F3N2O3/c1-12(25)13-4-7-15(8-5-13)27-11-18(26)23-16-10-14(19(20,21)22)6-9-17(16)24(2)3/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyQPHYVDQBROHRHX-UHFFFAOYSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 112766844
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide
CID 113092503
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 26707982
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propylphenoxy)acetamide
CID 19172179
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16599589
N-[4-(dimethylamino)butan-2-yl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 86945816
N-(5-acetamido-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510112
N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 55523564

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide (CID 17414348) is 2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide is CC(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QPHYVDQBROHRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-12(25)13-4-7-15(8-5-13)27-11-18(26)23-16-10-14(19(20,21)22)6-9-17(16)24(2)3/h4-10H,11H2,1-3H3,(H,23,26).
What are the key properties of 2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide?
2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 380.37 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 17414348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).