ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate

C10H8ClF2NO3 — CID 83087259

IUPACethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H8ClF2NO3/c1-2-17-10(16)9(15)14-8-6(11)3-5(12)4-7(8)13/h3-4H,2H2,1H3,(H,14,15)
InChIKeyWHJCVRKDYLDIIU-UHFFFAOYSA-N
MW263.63 g/mol
LogP2.12
Rot. Bonds2

About ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate

ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate (PubChem CID 83087259) has the molecular formula C10H8ClF2NO3 and a molecular weight of 263.63 g/mol. Its IUPAC name is ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate
PubChem CID83087259
Molecular FormulaC10H8ClF2NO3
Molecular Weight263.63 g/mol
Exact Mass263.02
IUPAC Nameethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H8ClF2NO3/c1-2-17-10(16)9(15)14-8-6(11)3-5(12)4-7(8)13/h3-4H,2H2,1H3,(H,14,15)
InChIKeyWHJCVRKDYLDIIU-UHFFFAOYSA-N
XLogP2.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.63
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2,6-dichloro-4-fluoroanilino)-2-oxoacetate
CID 83078471
ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate
CID 60893377
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
1-butyl-3-(2-chloro-4,6-difluorophenyl)urea
CID 115871717
methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate
CID 112617383
3-amino-N-(2-chloro-4,6-difluorophenyl)-2-methoxypropanamide
CID 114145180
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
CID 12897311
N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide
CID 83088283
ethyl 2-[(2,4,6-trifluoroanilino)methyl]prop-2-enoate
CID 103255006
1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea
CID 115871702

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate (CID 83087259) is ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate is CCOC(=O)C(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate?
The InChIKey is WHJCVRKDYLDIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO3/c1-2-17-10(16)9(15)14-8-6(11)3-5(12)4-7(8)13/h3-4H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate?
ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate has a molecular weight of 263.63 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate is sourced from PubChem (CID 83087259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).