diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate

C20H19F2NO6 — CID 26206682

IUPACdiethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2OC(F)F)cc(C(=O)OCC)c1
InChIInChI=1S/C20H19F2NO6/c1-3-27-18(25)12-9-13(19(26)28-4-2)11-14(10-12)23-17(24)15-7-5-6-8-16(15)29-20(21)22/h5-11,20H,3-4H2,1-2H3,(H,23,24)
InChIKeyPHGKWVFQEIHJOC-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.89
Rot. Bonds8

About diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate

diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate (PubChem CID 26206682) has the molecular formula C20H19F2NO6 and a molecular weight of 407.37 g/mol. Its IUPAC name is diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
PubChem CID26206682
Molecular FormulaC20H19F2NO6
Molecular Weight407.37 g/mol
Exact Mass407.12
IUPAC Namediethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2OC(F)F)cc(C(=O)OCC)c1
InChIInChI=1S/C20H19F2NO6/c1-3-27-18(25)12-9-13(19(26)28-4-2)11-14(10-12)23-17(24)15-7-5-6-8-16(15)29-20(21)22/h5-11,20H,3-4H2,1-2H3,(H,23,24)
InChIKeyPHGKWVFQEIHJOC-UHFFFAOYSA-N
XLogP3.89
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
CID 17045515
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 26904916
ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 31420731
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 26086758
N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide
CID 8883724
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate
CID 26206675
2-(difluoromethoxy)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 39977055
N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide
CID 27447613

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate (CID 26206682) is diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate is CCOC(=O)c1cc(NC(=O)c2ccccc2OC(F)F)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is PHGKWVFQEIHJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO6/c1-3-27-18(25)12-9-13(19(26)28-4-2)11-14(10-12)23-17(24)15-7-5-6-8-16(15)29-20(21)22/h5-11,20H,3-4H2,1-2H3,(H,23,24).
What are the key properties of diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate?
diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 407.37 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 26206682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).