[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate

C16H11ClF3NO4 — CID 2444631

IUPAC[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11ClF3NO4/c17-11-3-1-10(2-4-11)15(23)24-9-14(22)21-12-5-7-13(8-6-12)25-16(18,19)20/h1-8H,9H2,(H,21,22)
InChIKeyUKTXKJWXYRPKDL-UHFFFAOYSA-N
MW373.71 g/mol
LogP4.03
Rot. Bonds5

About [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate (PubChem CID 2444631) has the molecular formula C16H11ClF3NO4 and a molecular weight of 373.71 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
PubChem CID2444631
Molecular FormulaC16H11ClF3NO4
Molecular Weight373.71 g/mol
Exact Mass373.03
IUPAC Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11ClF3NO4/c17-11-3-1-10(2-4-11)15(23)24-9-14(22)21-12-5-7-13(8-6-12)25-16(18,19)20/h1-8H,9H2,(H,21,22)
InChIKeyUKTXKJWXYRPKDL-UHFFFAOYSA-N
XLogP4.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.71
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate
CID 7364756
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2419920
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-pyrrol-1-ylbenzoate
CID 40690715
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796392
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3,5-dimethylbenzoate
CID 8012367
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815244
[2-(4-chloroanilino)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 19059171
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010507
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-methylbenzoate
CID 2563049

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate (CID 2444631) is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate is O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate?
The InChIKey is UKTXKJWXYRPKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO4/c17-11-3-1-10(2-4-11)15(23)24-9-14(22)21-12-5-7-13(8-6-12)25-16(18,19)20/h1-8H,9H2,(H,21,22).
What are the key properties of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate?
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate has a molecular weight of 373.71 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate is sourced from PubChem (CID 2444631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).