2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

C18H16Cl2F3N3O2 — CID 18272443

IUPAC2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H16Cl2F3N3O2/c1-26(10-16(28)25-17-13(19)6-3-7-14(17)20)9-15(27)24-12-5-2-4-11(8-12)18(21,22)23/h2-8H,9-10H2,1H3,(H,24,27)(H,25,28)
InChIKeyJIWOYYXSLAXTIP-UHFFFAOYSA-N
MW434.25 g/mol
LogP4.52
Rot. Bonds6

About 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 18272443) has the molecular formula C18H16Cl2F3N3O2 and a molecular weight of 434.25 g/mol. Its IUPAC name is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID18272443
Molecular FormulaC18H16Cl2F3N3O2
Molecular Weight434.25 g/mol
Exact Mass433.06
IUPAC Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H16Cl2F3N3O2/c1-26(10-16(28)25-17-13(19)6-3-7-14(17)20)9-15(27)24-12-5-2-4-11(8-12)18(21,22)23/h2-8H,9-10H2,1H3,(H,24,27)(H,25,28)
InChIKeyJIWOYYXSLAXTIP-UHFFFAOYSA-N
XLogP4.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.25
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9303896
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 2474847
2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9333158
2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
2-[(4-methoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8761296
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27152993
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698870
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 18272443) is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JIWOYYXSLAXTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F3N3O2/c1-26(10-16(28)25-17-13(19)6-3-7-14(17)20)9-15(27)24-12-5-2-4-11(8-12)18(21,22)23/h2-8H,9-10H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 434.25 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18272443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).