N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide

C11H11ClF3NO2 — CID 60638343

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H11ClF3NO2/c1-2-18-6-10(17)16-7-3-4-9(12)8(5-7)11(13,14)15/h3-5H,2,6H2,1H3,(H,16,17)
InChIKeyTWRLDDUIIDAFMT-UHFFFAOYSA-N
MW281.66 g/mol
LogP3.33
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide (PubChem CID 60638343) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
PubChem CID60638343
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H11ClF3NO2/c1-2-18-6-10(17)16-7-3-4-9(12)8(5-7)11(13,14)15/h3-5H,2,6H2,1H3,(H,16,17)
InChIKeyTWRLDDUIIDAFMT-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 8018923
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1188923
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 2058795
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-methylbenzoate
CID 7718016
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 993572
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide (CID 60638343) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide is CCOCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide?
The InChIKey is TWRLDDUIIDAFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-2-18-6-10(17)16-7-3-4-9(12)8(5-7)11(13,14)15/h3-5H,2,6H2,1H3,(H,16,17).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide has a molecular weight of 281.66 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide is sourced from PubChem (CID 60638343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).