dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate

C18H15F2NO6 — CID 2682917

IUPACdimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(OC(F)F)cc2)cc(C(=O)OC)c1
InChIInChI=1S/C18H15F2NO6/c1-25-16(23)11-7-12(17(24)26-2)9-13(8-11)21-15(22)10-3-5-14(6-4-10)27-18(19)20/h3-9,18H,1-2H3,(H,21,22)
InChIKeyBTXMCHVFJARZEN-UHFFFAOYSA-N
MW379.32 g/mol
LogP3.11
Rot. Bonds6

About dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate (PubChem CID 2682917) has the molecular formula C18H15F2NO6 and a molecular weight of 379.32 g/mol. Its IUPAC name is dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
PubChem CID2682917
Molecular FormulaC18H15F2NO6
Molecular Weight379.32 g/mol
Exact Mass379.09
IUPAC Namedimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(OC(F)F)cc2)cc(C(=O)OC)c1
InChIInChI=1S/C18H15F2NO6/c1-25-16(23)11-7-12(17(24)26-2)9-13(8-11)21-15(22)10-3-5-14(6-4-10)27-18(19)20/h3-9,18H,1-2H3,(H,21,22)
InChIKeyBTXMCHVFJARZEN-UHFFFAOYSA-N
XLogP3.11
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 4810797
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 31420731
ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 2677138
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108
4-(difluoromethoxy)-N-naphthalen-2-ylbenzamide
CID 2666065
dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1339052
4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide
CID 2676650
3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide
CID 61093967
butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 7926949
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1355426

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate (CID 2682917) is dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2ccc(OC(F)F)cc2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is BTXMCHVFJARZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO6/c1-25-16(23)11-7-12(17(24)26-2)9-13(8-11)21-15(22)10-3-5-14(6-4-10)27-18(19)20/h3-9,18H,1-2H3,(H,21,22).
What are the key properties of dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 379.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 2682917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).