[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate

C18H15ClF3NO4 — CID 3253397

IUPAC[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate
SMILESCC(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H15ClF3NO4/c1-11(27-13-8-6-12(19)7-9-13)17(25)26-10-16(24)23-15-5-3-2-4-14(15)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,24)
InChIKeyRAAVNQQUFZVXBU-UHFFFAOYSA-N
MW401.77 g/mol
LogP4.31
Rot. Bonds6

About [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate (PubChem CID 3253397) has the molecular formula C18H15ClF3NO4 and a molecular weight of 401.77 g/mol. Its IUPAC name is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate
PubChem CID3253397
Molecular FormulaC18H15ClF3NO4
Molecular Weight401.77 g/mol
Exact Mass401.06
IUPAC Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate
SMILESCC(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H15ClF3NO4/c1-11(27-13-8-6-12(19)7-9-13)17(25)26-10-16(24)23-15-5-3-2-4-14(15)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,24)
InChIKeyRAAVNQQUFZVXBU-UHFFFAOYSA-N
XLogP4.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.77
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 9492356
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868039
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598008
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867861
2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
CID 42904434
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 4050676
3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 108789991
[2-(2-methylanilino)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8985000
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 35577296
2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 13052546
[2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867150

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate?
The IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate (CID 3253397) is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate is CC(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate?
The InChIKey is RAAVNQQUFZVXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3NO4/c1-11(27-13-8-6-12(19)7-9-13)17(25)26-10-16(24)23-15-5-3-2-4-14(15)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,24).
What are the key properties of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate?
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate has a molecular weight of 401.77 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 3253397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).