[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate

C17H12Cl2F3NO3 — CID 35777191

IUPAC[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H12Cl2F3NO3/c18-12-4-2-1-3-10(12)7-16(25)26-9-15(24)23-14-8-11(17(20,21)22)5-6-13(14)19/h1-6,8H,7,9H2,(H,23,24)
InChIKeyDCNZJEIACCEXRO-UHFFFAOYSA-N
MW406.19 g/mol
LogP4.74
Rot. Bonds5

About [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate

[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate (PubChem CID 35777191) has the molecular formula C17H12Cl2F3NO3 and a molecular weight of 406.19 g/mol. Its IUPAC name is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
PubChem CID35777191
Molecular FormulaC17H12Cl2F3NO3
Molecular Weight406.19 g/mol
Exact Mass405.01
IUPAC Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H12Cl2F3NO3/c18-12-4-2-1-3-10(12)7-16(25)26-9-15(24)23-14-8-11(17(20,21)22)5-6-13(14)19/h1-6,8H,7,9H2,(H,23,24)
InChIKeyDCNZJEIACCEXRO-UHFFFAOYSA-N
XLogP4.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.19
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822825
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 7841537
(2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate
CID 17258688
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7698344
1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate
CID 17257992
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2631675
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 71822890
(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate
CID 8633215
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate
CID 7407565
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 2423223

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate (CID 35777191) is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate.
What is the SMILES notation for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The canonical SMILES for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate is O=C(COC(=O)Cc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The InChIKey is DCNZJEIACCEXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3NO3/c18-12-4-2-1-3-10(12)7-16(25)26-9-15(24)23-14-8-11(17(20,21)22)5-6-13(14)19/h1-6,8H,7,9H2,(H,23,24).
What are the key properties of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate?
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate has a molecular weight of 406.19 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate is sourced from PubChem (CID 35777191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).