2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide

C16H12Cl2F3NO3 — CID 134027239

IUPAC2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C16H12Cl2F3NO3/c17-10-1-4-12(5-2-10)24-8-15(23)22-13-7-11(18)3-6-14(13)25-9-16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyWWGSKXAGZCITFA-UHFFFAOYSA-N
MW394.18 g/mol
LogP4.95
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 134027239) has the molecular formula C16H12Cl2F3NO3 and a molecular weight of 394.18 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID134027239
Molecular FormulaC16H12Cl2F3NO3
Molecular Weight394.18 g/mol
Exact Mass393.01
IUPAC Name2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C16H12Cl2F3NO3/c17-10-1-4-12(5-2-10)24-8-15(23)22-13-7-11(18)3-6-14(13)25-9-16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyWWGSKXAGZCITFA-UHFFFAOYSA-N
XLogP4.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.18
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 134027266
2-(4-bromophenoxy)-N-(5-chloro-2-ethoxyphenyl)acetamide
CID 60536138
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 30473976
2-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119324701
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56540594
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 134027323
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 134027239) is 2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is WWGSKXAGZCITFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO3/c17-10-1-4-12(5-2-10)24-8-15(23)22-13-7-11(18)3-6-14(13)25-9-16(19,20)21/h1-7H,8-9H2,(H,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 394.18 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 134027239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).