ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate

C12H11Cl2F2NO3 — CID 166132520

IUPACethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cc(NC(C)=O)cc(Cl)c1Cl
InChIInChI=1S/C12H11Cl2F2NO3/c1-3-20-11(19)12(15,16)8-4-7(17-6(2)18)5-9(13)10(8)14/h4-5H,3H2,1-2H3,(H,17,18)
InChIKeyLMSWRYJSWNWFNA-UHFFFAOYSA-N
MW326.13 g/mol
LogP3.61
Rot. Bonds4

About ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate

ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate (PubChem CID 166132520) has the molecular formula C12H11Cl2F2NO3 and a molecular weight of 326.13 g/mol. Its IUPAC name is ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate
PubChem CID166132520
Molecular FormulaC12H11Cl2F2NO3
Molecular Weight326.13 g/mol
Exact Mass325.01
IUPAC Nameethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cc(NC(C)=O)cc(Cl)c1Cl
InChIInChI=1S/C12H11Cl2F2NO3/c1-3-20-11(19)12(15,16)8-4-7(17-6(2)18)5-9(13)10(8)14/h4-5H,3H2,1-2H3,(H,17,18)
InChIKeyLMSWRYJSWNWFNA-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)acetate
CID 164549889
[3-[Carboxy(difluoro)methyl]-4,5-dichlorophenyl]azanium
CID 166132486
2-(5-Amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid
CID 166132487
2-(5-Acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid
CID 175825346
Ethyl 2-[5-chloro-2-[(2,2,2-trifluoroacetyl)amino]phenyl]acetate
CID 23727403
Ethyl (2-chloro-5-(boc-amino)phenyl)acetate
CID 53922303
Methyl 2-(3-acetamido-2-chlorophenyl)acetate
CID 141608162
Methyl 2-(3-acetamido-2,6-dichlorophenyl)acetate
CID 176310840
Methyl 2-(5-amino-2,3-dichlorophenyl)acetate
CID 131482465
Ethyl 2-(5-amino-2,3-dichlorophenyl)acetate
CID 171010742

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate (CID 166132520) is ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1cc(NC(C)=O)cc(Cl)c1Cl.
What is the InChIKey of ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate?
The InChIKey is LMSWRYJSWNWFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2F2NO3/c1-3-20-11(19)12(15,16)8-4-7(17-6(2)18)5-9(13)10(8)14/h4-5H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate?
ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate has a molecular weight of 326.13 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate is sourced from PubChem (CID 166132520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).