ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate

C17H15F2NO4 — CID 31420731

IUPACethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H15F2NO4/c1-2-23-16(22)12-4-3-5-13(10-12)20-15(21)11-6-8-14(9-7-11)24-17(18)19/h3-10,17H,2H2,1H3,(H,20,21)
InChIKeyGVDIFGKKOVJNEV-UHFFFAOYSA-N
MW335.31 g/mol
LogP3.72
Rot. Bonds6

About ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate

ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate (PubChem CID 31420731) has the molecular formula C17H15F2NO4 and a molecular weight of 335.31 g/mol. Its IUPAC name is ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
PubChem CID31420731
Molecular FormulaC17H15F2NO4
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Nameethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H15F2NO4/c1-2-23-16(22)12-4-3-5-13(10-12)20-15(21)11-6-8-14(9-7-11)24-17(18)19/h3-10,17H,2H2,1H3,(H,20,21)
InChIKeyGVDIFGKKOVJNEV-UHFFFAOYSA-N
XLogP3.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 2677138
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate
CID 5194656
N-[2-(3-acetylanilino)-2-oxoethyl]-4-(difluoromethoxy)benzamide
CID 7780383
ethyl 3-acetamidobenzoate
CID 700589
dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
CID 2682917
butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 7926949
ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate
CID 132652172
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
CID 9228357

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate?
The IUPAC name of ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate (CID 31420731) is ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate?
The InChIKey is GVDIFGKKOVJNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4/c1-2-23-16(22)12-4-3-5-13(10-12)20-15(21)11-6-8-14(9-7-11)24-17(18)19/h3-10,17H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate?
ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate has a molecular weight of 335.31 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate is sourced from PubChem (CID 31420731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).