diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate

C19H17F2NO5 — CID 26206675

IUPACdiethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2cc(F)cc(F)c2)cc(C(=O)OCC)c1
InChIInChI=1S/C19H17F2NO5/c1-3-26-18(24)12-5-13(19(25)27-4-2)9-16(8-12)22-17(23)11-6-14(20)10-15(21)7-11/h5-10H,3-4H2,1-2H3,(H,22,23)
InChIKeyPVYGZNFNSDNXTM-UHFFFAOYSA-N
MW377.34 g/mol
LogP3.57
Rot. Bonds6

About diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate

diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate (PubChem CID 26206675) has the molecular formula C19H17F2NO5 and a molecular weight of 377.34 g/mol. Its IUPAC name is diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate
PubChem CID26206675
Molecular FormulaC19H17F2NO5
Molecular Weight377.34 g/mol
Exact Mass377.11
IUPAC Namediethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2cc(F)cc(F)c2)cc(C(=O)OCC)c1
InChIInChI=1S/C19H17F2NO5/c1-3-26-18(24)12-5-13(19(25)27-4-2)9-16(8-12)22-17(23)11-6-14(20)10-15(21)7-11/h5-10H,3-4H2,1-2H3,(H,22,23)
InChIKeyPVYGZNFNSDNXTM-UHFFFAOYSA-N
XLogP3.57
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(4-fluorophenyl)carbamoyl]-5-nitrobenzoate
CID 26915534
ethyl 2-[(3,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 26902176
diethyl 5-(methylamino)benzene-1,3-dicarboxylate
CID 101449112
diethyl 5-[(2-bromoacetyl)amino]benzene-1,3-dicarboxylate
CID 60651216
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
diethyl 5-[(4-methyl-3-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 26874274
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
ethyl 4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1H-pyrrole-2-carboxylate
CID 166482851
diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
CID 26206682
ethyl 3-[(4-methylphenyl)carbamoyl]-5-nitrobenzoate
CID 8760197
ethyl 4-[(3,5-difluorophenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697662

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate (CID 26206675) is diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate is CCOC(=O)c1cc(NC(=O)c2cc(F)cc(F)c2)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is PVYGZNFNSDNXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO5/c1-3-26-18(24)12-5-13(19(25)27-4-2)9-16(8-12)22-17(23)11-6-14(20)10-15(21)7-11/h5-10H,3-4H2,1-2H3,(H,22,23).
What are the key properties of diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate?
diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 377.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[(3,5-difluorobenzoyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 26206675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).