2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

C20H22F3N3O2 — CID 9303896

IUPAC2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O2/c1-3-14-7-4-5-10-17(14)25-19(28)13-26(2)12-18(27)24-16-9-6-8-15(11-16)20(21,22)23/h4-11H,3,12-13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLTMGXHUVXGIHMW-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.78
Rot. Bonds7

About 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 9303896) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID9303896
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O2/c1-3-14-7-4-5-10-17(14)25-19(28)13-26(2)12-18(27)24-16-9-6-8-15(11-16)20(21,22)23/h4-11H,3,12-13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLTMGXHUVXGIHMW-UHFFFAOYSA-N
XLogP3.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109036212
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18272443
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55411601
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330
2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 10268726
2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9333158
3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27152993
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide
CID 9286571

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 9303896) is 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LTMGXHUVXGIHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-3-14-7-4-5-10-17(14)25-19(28)13-26(2)12-18(27)24-16-9-6-8-15(11-16)20(21,22)23/h4-11H,3,12-13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 9303896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).