N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide

C16H12Cl2F3NO2 — CID 143426369

IUPACN-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide
SMILESCc1cc(NC(=O)CO)c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H12Cl2F3NO2/c1-8-4-11(16(19,20)21)15(13(5-8)22-14(24)7-23)10-3-2-9(17)6-12(10)18/h2-6,23H,7H2,1H3,(H,22,24)
InChIKeyZEDHOBMEGZIGEH-UHFFFAOYSA-N
MW378.18 g/mol
LogP4.92
Rot. Bonds3

About N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide

N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide (PubChem CID 143426369) has the molecular formula C16H12Cl2F3NO2 and a molecular weight of 378.18 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide
PubChem CID143426369
Molecular FormulaC16H12Cl2F3NO2
Molecular Weight378.18 g/mol
Exact Mass377.02
IUPAC NameN-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide
SMILESCc1cc(NC(=O)CO)c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H12Cl2F3NO2/c1-8-4-11(16(19,20)21)15(13(5-8)22-14(24)7-23)10-3-2-9(17)6-12(10)18/h2-6,23H,7H2,1H3,(H,22,24)
InChIKeyZEDHOBMEGZIGEH-UHFFFAOYSA-N
XLogP4.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide (CID 143426369) is N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide is Cc1cc(NC(=O)CO)c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide?
The InChIKey is ZEDHOBMEGZIGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO2/c1-8-4-11(16(19,20)21)15(13(5-8)22-14(24)7-23)10-3-2-9(17)6-12(10)18/h2-6,23H,7H2,1H3,(H,22,24).
What are the key properties of N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide?
N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide has a molecular weight of 378.18 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide is sourced from PubChem (CID 143426369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).