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

C17H15F2NO4 — CID 2677138

IUPACethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H15F2NO4/c1-2-23-16(22)12-3-7-13(8-4-12)20-15(21)11-5-9-14(10-6-11)24-17(18)19/h3-10,17H,2H2,1H3,(H,20,21)
InChIKeyDRZDDVLEMBETMX-UHFFFAOYSA-N
MW335.31 g/mol
LogP3.72
Rot. Bonds6

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

ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate (PubChem CID 2677138) has the molecular formula C17H15F2NO4 and a molecular weight of 335.31 g/mol. Its IUPAC name is ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
PubChem CID2677138
Molecular FormulaC17H15F2NO4
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Nameethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H15F2NO4/c1-2-23-16(22)12-3-7-13(8-4-12)20-15(21)11-5-9-14(10-6-11)24-17(18)19/h3-10,17H,2H2,1H3,(H,20,21)
InChIKeyDRZDDVLEMBETMX-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

butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 7926949
ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 31420731
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
ethyl (E)-3-[4-[[4-(difluoromethoxy)benzoyl]amino]phenyl]prop-2-enoate
CID 27902221
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580671
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
N-[4-(difluoromethoxy)phenyl]-4-(ethylsulfamoyl)benzamide
CID 9405047

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate (CID 2677138) is ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate?
The InChIKey is DRZDDVLEMBETMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4/c1-2-23-16(22)12-3-7-13(8-4-12)20-15(21)11-5-9-14(10-6-11)24-17(18)19/h3-10,17H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate?
ethyl 4-[[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 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate is sourced from PubChem (CID 2677138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).