N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C21H23F3N2O3 — CID 26080663

IUPACN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc(COCC(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C21H23F3N2O3/c1-13-8-14(2)19(15(3)9-13)26-18(27)10-25-20(28)17-6-4-16(5-7-17)11-29-12-21(22,23)24/h4-9H,10-12H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyYKMBDOSDSHRNMK-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.06
Rot. Bonds7

About N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 26080663) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID26080663
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC NameN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc(COCC(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C21H23F3N2O3/c1-13-8-14(2)19(15(3)9-13)26-18(27)10-25-20(28)17-6-4-16(5-7-17)11-29-12-21(22,23)24/h4-9H,10-12H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyYKMBDOSDSHRNMK-UHFFFAOYSA-N
XLogP4.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 51175467
N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 30341698
3-(methoxymethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783081
2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46583938
4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
CID 26713846
N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46680510
2,4-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713980
N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 55489256
4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide
CID 112998260
methyl 4-(2,2,2-trifluoroethoxymethyl)benzoate;4-(2,2,2-trifluoroethoxymethyl)benzoic acid
CID 159461011
N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 30094922
4-cyclohexyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 43021818

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 26080663) is N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(COCC(F)(F)F)cc2)c(C)c1.
What is the InChIKey of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is YKMBDOSDSHRNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c1-13-8-14(2)19(15(3)9-13)26-18(27)10-25-20(28)17-6-4-16(5-7-17)11-29-12-21(22,23)24/h4-9H,10-12H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 408.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 26080663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).