N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide

C23H24F6N2O3 — CID 118395867

IUPACN-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(CC(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H24F6N2O3/c1-20(2,3)19(33)31(4)17-11-5-14(6-12-17)13-18(32)30-16-9-7-15(8-10-16)21(34,22(24,25)26)23(27,28)29/h5-12,34H,13H2,1-4H3,(H,30,32)
InChIKeyDEJJQCBWZDJQOM-UHFFFAOYSA-N
MW490.44 g/mol
LogP5.19
Rot. Bonds5

About N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide

N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide (PubChem CID 118395867) has the molecular formula C23H24F6N2O3 and a molecular weight of 490.44 g/mol. Its IUPAC name is N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide
PubChem CID118395867
Molecular FormulaC23H24F6N2O3
Molecular Weight490.44 g/mol
Exact Mass490.17
IUPAC NameN-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(CC(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H24F6N2O3/c1-20(2,3)19(33)31(4)17-11-5-14(6-12-17)13-18(32)30-16-9-7-15(8-10-16)21(34,22(24,25)26)23(27,28)29/h5-12,34H,13H2,1-4H3,(H,30,32)
InChIKeyDEJJQCBWZDJQOM-UHFFFAOYSA-N
XLogP5.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.44
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
CID 110674963
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953
N-(4-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534873
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 112981313
2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide
CID 110674996
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide
CID 28755472
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
CID 3250699

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide (CID 118395867) is N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1ccc(CC(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide?
The InChIKey is DEJJQCBWZDJQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2O3/c1-20(2,3)19(33)31(4)17-11-5-14(6-12-17)13-18(32)30-16-9-7-15(8-10-16)21(34,22(24,25)26)23(27,28)29/h5-12,34H,13H2,1-4H3,(H,30,32).
What are the key properties of N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide?
N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide has a molecular weight of 490.44 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 118395867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).