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

C18H17ClF3NO4 — CID 134027266

IUPACN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C18H17ClF3NO4/c1-11-3-5-15(16(7-11)25-2)26-9-17(24)23-13-8-12(19)4-6-14(13)27-10-18(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,24)
InChIKeyWZCHCUYZKYZYPG-UHFFFAOYSA-N
MW403.78 g/mol
LogP4.62
Rot. Bonds7

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

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 134027266) has the molecular formula C18H17ClF3NO4 and a molecular weight of 403.78 g/mol. Its IUPAC name is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID134027266
Molecular FormulaC18H17ClF3NO4
Molecular Weight403.78 g/mol
Exact Mass403.08
IUPAC NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C18H17ClF3NO4/c1-11-3-5-15(16(7-11)25-2)26-9-17(24)23-13-8-12(19)4-6-14(13)27-10-18(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,24)
InChIKeyWZCHCUYZKYZYPG-UHFFFAOYSA-N
XLogP4.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.78
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134027239
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2452642
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyphenyl)acetamide
CID 33482506
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126380861
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 30473976
N-(2-methoxy-5-methylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 51283496
N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 22777920
N-(2-methoxy-5-methylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275215
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide (CID 134027266) is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is WZCHCUYZKYZYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO4/c1-11-3-5-15(16(7-11)25-2)26-9-17(24)23-13-8-12(19)4-6-14(13)27-10-18(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,24).
What are the key properties of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 403.78 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 134027266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).