[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate

C17H13ClF3NO3 — CID 7859795

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13ClF3NO3/c1-10-8-11(18)6-7-14(10)22-15(23)9-25-16(24)12-4-2-3-5-13(12)17(19,20)21/h2-8H,9H2,1H3,(H,22,23)
InChIKeySZXIIADLJKDACL-UHFFFAOYSA-N
MW371.74 g/mol
LogP4.46
Rot. Bonds4

About [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate

[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate (PubChem CID 7859795) has the molecular formula C17H13ClF3NO3 and a molecular weight of 371.74 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
PubChem CID7859795
Molecular FormulaC17H13ClF3NO3
Molecular Weight371.74 g/mol
Exact Mass371.05
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13ClF3NO3/c1-10-8-11(18)6-7-14(10)22-15(23)9-25-16(24)12-4-2-3-5-13(12)17(19,20)21/h2-8H,9H2,1H3,(H,22,23)
InChIKeySZXIIADLJKDACL-UHFFFAOYSA-N
XLogP4.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.74
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate 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-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838249
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838147
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11926927
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891384
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7505840
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7505655
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8850644
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463162
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-methylbenzoate
CID 7718016
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxypyridine-3-carboxylate
CID 38698880
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,5-dimethylbenzoate
CID 2520046
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-iodobenzoate
CID 71823697

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate (CID 7859795) is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate is Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The InChIKey is SZXIIADLJKDACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO3/c1-10-8-11(18)6-7-14(10)22-15(23)9-25-16(24)12-4-2-3-5-13(12)17(19,20)21/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate has a molecular weight of 371.74 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 7859795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).