N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C18H13Cl2F6NO2 — CID 130275796

IUPACN-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(O)(c1cc(Cl)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C18H13Cl2F6NO2/c1-16(29,18(24,25)26)11-7-12(19)15(13(20)8-11)27-14(28)6-9-2-4-10(5-3-9)17(21,22)23/h2-5,7-8,29H,6H2,1H3,(H,27,28)
InChIKeyBWZAIYJLTDRBKW-UHFFFAOYSA-N
MW460.20 g/mol
LogP5.96
Rot. Bonds4

About N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 130275796) has the molecular formula C18H13Cl2F6NO2 and a molecular weight of 460.20 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID130275796
Molecular FormulaC18H13Cl2F6NO2
Molecular Weight460.20 g/mol
Exact Mass459.02
IUPAC NameN-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(O)(c1cc(Cl)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C18H13Cl2F6NO2/c1-16(29,18(24,25)26)11-7-12(19)15(13(20)8-11)27-14(28)6-9-2-4-10(5-3-9)17(21,22)23/h2-5,7-8,29H,6H2,1H3,(H,27,28)
InChIKeyBWZAIYJLTDRBKW-UHFFFAOYSA-N
XLogP5.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.20
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,6-dichloro-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 130274641
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25299245
N-(5-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534714
2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetic acid
CID 115046288
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033961
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 103892875
N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534784
1-[2,6-dichloro-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 130274741
N-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 68709653

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 130275796) is N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is CC(O)(c1cc(Cl)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c(Cl)c1)C(F)(F)F.
What is the InChIKey of N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BWZAIYJLTDRBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F6NO2/c1-16(29,18(24,25)26)11-7-12(19)15(13(20)8-11)27-14(28)6-9-2-4-10(5-3-9)17(21,22)23/h2-5,7-8,29H,6H2,1H3,(H,27,28).
What are the key properties of N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 460.20 g/mol, XLogP of 5.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 130275796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).