2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

C17H14Cl2F3NO2 — CID 4512628

IUPAC2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C17H14Cl2F3NO2/c1-9-5-10(2)16(13(19)6-9)25-8-15(24)23-14-4-3-11(18)7-12(14)17(20,21)22/h3-7H,8H2,1-2H3,(H,23,24)
InChIKeyCVZSCSHTEQNBRZ-UHFFFAOYSA-N
MW392.20 g/mol
LogP5.65
Rot. Bonds4

About 2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 4512628) has the molecular formula C17H14Cl2F3NO2 and a molecular weight of 392.20 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID4512628
Molecular FormulaC17H14Cl2F3NO2
Molecular Weight392.20 g/mol
Exact Mass391.04
IUPAC Name2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C17H14Cl2F3NO2/c1-9-5-10(2)16(13(19)6-9)25-8-15(24)23-14-4-3-11(18)7-12(14)17(20,21)22/h3-7H,8H2,1-2H3,(H,23,24)
InChIKeyCVZSCSHTEQNBRZ-UHFFFAOYSA-N
XLogP5.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.20
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
CID 4512787
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 4512621
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1321750
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 23909609
N-(2-amino-4-chlorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 91689111
N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 55369187
2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 5111404
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 35576066
N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 2275203
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512311

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (CID 4512628) is 2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CVZSCSHTEQNBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3NO2/c1-9-5-10(2)16(13(19)6-9)25-8-15(24)23-14-4-3-11(18)7-12(14)17(20,21)22/h3-7H,8H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 392.20 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4512628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).