methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate

C16H13F2NO4 — CID 17414154

IUPACmethyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C16H13F2NO4/c1-22-15(21)10-5-4-6-11(9-10)19-14(20)12-7-2-3-8-13(12)23-16(17)18/h2-9,16H,1H3,(H,19,20)
InChIKeyOJVPISQCULKHCS-UHFFFAOYSA-N
MW321.28 g/mol
LogP3.33
Rot. Bonds5

About methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate

methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate (PubChem CID 17414154) has the molecular formula C16H13F2NO4 and a molecular weight of 321.28 g/mol. Its IUPAC name is methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
PubChem CID17414154
Molecular FormulaC16H13F2NO4
Molecular Weight321.28 g/mol
Exact Mass321.08
IUPAC Namemethyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C16H13F2NO4/c1-22-15(21)10-5-4-6-11(9-10)19-14(20)12-7-2-3-8-13(12)23-16(17)18/h2-9,16H,1H3,(H,19,20)
InChIKeyOJVPISQCULKHCS-UHFFFAOYSA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide
CID 27447613
2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 26086758
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
CID 26206682
methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2676410
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197512
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide
CID 8883724
methyl 3-[(2,2-difluoroacetyl)amino]benzoate
CID 103600805
2-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 26904916

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate (CID 17414154) is methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccccc2OC(F)F)c1.
What is the InChIKey of methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate?
The InChIKey is OJVPISQCULKHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4/c1-22-15(21)10-5-4-6-11(9-10)19-14(20)12-7-2-3-8-13(12)23-16(17)18/h2-9,16H,1H3,(H,19,20).
What are the key properties of methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate?
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate has a molecular weight of 321.28 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate is sourced from PubChem (CID 17414154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).