[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate

C16H10Cl2F3NO4 — CID 2419920

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2F3NO4/c17-10-3-6-12(18)13(7-10)22-14(23)8-25-15(24)9-1-4-11(5-2-9)26-16(19,20)21/h1-7H,8H2,(H,22,23)
InChIKeyFFSOCXCJGKDZCH-UHFFFAOYSA-N
MW408.16 g/mol
LogP4.69
Rot. Bonds5

About [2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate

[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate (PubChem CID 2419920) has the molecular formula C16H10Cl2F3NO4 and a molecular weight of 408.16 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
PubChem CID2419920
Molecular FormulaC16H10Cl2F3NO4
Molecular Weight408.16 g/mol
Exact Mass406.99
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2F3NO4/c17-10-3-6-12(18)13(7-10)22-14(23)8-25-15(24)9-1-4-11(5-2-9)26-16(19,20)21/h1-7H,8H2,(H,22,23)
InChIKeyFFSOCXCJGKDZCH-UHFFFAOYSA-N
XLogP4.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.16
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
CID 2444631
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 55404196
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 46860441
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8986234
[2-(2-bromoanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2399946
[2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate
CID 26984403
[2-(2,4-dichloroanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781295
4-O-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089233
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7668422
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7698344
4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid
CID 23802638
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(trifluoromethoxy)benzoate
CID 7796496

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate (CID 2419920) is [2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate is O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate?
The InChIKey is FFSOCXCJGKDZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3NO4/c17-10-3-6-12(18)13(7-10)22-14(23)8-25-15(24)9-1-4-11(5-2-9)26-16(19,20)21/h1-7H,8H2,(H,22,23).
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate?
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate has a molecular weight of 408.16 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate is sourced from PubChem (CID 2419920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).