ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate

C12H13ClF3NO2 — CID 91410981

IUPACethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate
SMILESCCOC(=O)CN(C)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H13ClF3NO2/c1-3-19-11(18)7-17(2)10-5-4-8(6-9(10)13)12(14,15)16/h4-6H,3,7H2,1-2H3
InChIKeyTWCNVSHTOVZGLC-UHFFFAOYSA-N
MW295.69 g/mol
LogP3.36
Rot. Bonds4

About ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate

ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate (PubChem CID 91410981) has the molecular formula C12H13ClF3NO2 and a molecular weight of 295.69 g/mol. Its IUPAC name is ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate
PubChem CID91410981
Molecular FormulaC12H13ClF3NO2
Molecular Weight295.69 g/mol
Exact Mass295.06
IUPAC Nameethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate
SMILESCCOC(=O)CN(C)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H13ClF3NO2/c1-3-19-11(18)7-17(2)10-5-4-8(6-9(10)13)12(14,15)16/h4-6H,3,7H2,1-2H3
InChIKeyTWCNVSHTOVZGLC-UHFFFAOYSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]acetate
CID 23255854
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60690805
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate
CID 78902028
ethyl 2-(2,4-difluoro-N-methylanilino)acetate
CID 115257298
ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate
CID 83409150
ethyl 4-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanoate
CID 171898528
ethyl 2-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108849
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
ethyl 2-(3-chloro-2-cyano-N-methylanilino)acetate
CID 62496387
ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate
CID 66329484
ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate
CID 63092793

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate?
The IUPAC name of ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate (CID 91410981) is ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate?
The canonical SMILES for ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate is CCOC(=O)CN(C)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate?
The InChIKey is TWCNVSHTOVZGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2/c1-3-19-11(18)7-17(2)10-5-4-8(6-9(10)13)12(14,15)16/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate?
ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate has a molecular weight of 295.69 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate is sourced from PubChem (CID 91410981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).