2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

C15H22F2N2O2 — CID 107485723

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(CCO)CC(F)F)c(C)c1
InChIInChI=1S/C15H22F2N2O2/c1-10-6-11(2)15(12(3)7-10)18-14(21)9-19(4-5-20)8-13(16)17/h6-7,13,20H,4-5,8-9H2,1-3H3,(H,18,21)
InChIKeyKQKBPCFGESLHCV-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.11
Rot. Bonds7

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 107485723) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID107485723
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(CCO)CC(F)F)c(C)c1
InChIInChI=1S/C15H22F2N2O2/c1-10-6-11(2)15(12(3)7-10)18-14(21)9-19(4-5-20)8-13(16)17/h6-7,13,20H,4-5,8-9H2,1-3H3,(H,18,21)
InChIKeyKQKBPCFGESLHCV-UHFFFAOYSA-N
XLogP2.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 3026196
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
CID 61006911
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478609
N-(3-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478590
N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478853
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485154
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119291384
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 107485183
2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 107485683
2-[acetyl(propyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113158011

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 107485723) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(CCO)CC(F)F)c(C)c1.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is KQKBPCFGESLHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-10-6-11(2)15(12(3)7-10)18-14(21)9-19(4-5-20)8-13(16)17/h6-7,13,20H,4-5,8-9H2,1-3H3,(H,18,21).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 300.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 107485723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).