[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate

C14H10Cl2F3N3O3 — CID 2525514

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESO=C(COC(=O)Cn1ccc(C(F)(F)F)n1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2F3N3O3/c15-8-1-2-9(16)10(5-8)20-12(23)7-25-13(24)6-22-4-3-11(21-22)14(17,18)19/h1-5H,6-7H2,(H,20,23)
InChIKeyQNGYZVXGUKQLKO-UHFFFAOYSA-N
MW396.15 g/mol
LogP3.39
Rot. Bonds5

About [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate

[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate (PubChem CID 2525514) has the molecular formula C14H10Cl2F3N3O3 and a molecular weight of 396.15 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
PubChem CID2525514
Molecular FormulaC14H10Cl2F3N3O3
Molecular Weight396.15 g/mol
Exact Mass395.01
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESO=C(COC(=O)Cn1ccc(C(F)(F)F)n1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2F3N3O3/c15-8-1-2-9(16)10(5-8)20-12(23)7-25-13(24)6-22-4-3-11(21-22)14(17,18)19/h1-5H,6-7H2,(H,20,23)
InChIKeyQNGYZVXGUKQLKO-UHFFFAOYSA-N
XLogP3.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.15
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26696400
N-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26591497
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26877145
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2471055
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate
CID 8625714
N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 81341056
3-chloro-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoic acid
CID 167822851
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587212
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7940037
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 7869476
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530737
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2419920

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate (CID 2525514) is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate is O=C(COC(=O)Cn1ccc(C(F)(F)F)n1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
The InChIKey is QNGYZVXGUKQLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N3O3/c15-8-1-2-9(16)10(5-8)20-12(23)7-25-13(24)6-22-4-3-11(21-22)14(17,18)19/h1-5H,6-7H2,(H,20,23).
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate has a molecular weight of 396.15 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 2525514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).