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

C18H15F2NO6 — CID 2512926

IUPACmethyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H15F2NO6/c1-25-17(24)13-7-2-3-8-14(13)21-15(22)10-26-16(23)11-5-4-6-12(9-11)27-18(19)20/h2-9,18H,10H2,1H3,(H,21,22)
InChIKeyGAUNWXFLFPJTNT-UHFFFAOYSA-N
MW379.32 g/mol
LogP2.87
Rot. Bonds7

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

methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate (PubChem CID 2512926) has the molecular formula C18H15F2NO6 and a molecular weight of 379.32 g/mol. Its IUPAC name is methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate
PubChem CID2512926
Molecular FormulaC18H15F2NO6
Molecular Weight379.32 g/mol
Exact Mass379.09
IUPAC Namemethyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H15F2NO6/c1-25-17(24)13-7-2-3-8-14(13)21-15(22)10-26-16(23)11-5-4-6-12(9-11)27-18(19)20/h2-9,18H,10H2,1H3,(H,21,22)
InChIKeyGAUNWXFLFPJTNT-UHFFFAOYSA-N
XLogP2.87
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
[2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512945
[2-(2,4-difluoroanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512889
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563639
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 7985319
[2-(3-methylanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512864
[2-(tert-butylamino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2693137
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515672
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 16522073
methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211925
[2-(2-cyanoanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7291022

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate (CID 2512926) is methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate?
The InChIKey is GAUNWXFLFPJTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO6/c1-25-17(24)13-7-2-3-8-14(13)21-15(22)10-26-16(23)11-5-4-6-12(9-11)27-18(19)20/h2-9,18H,10H2,1H3,(H,21,22).
What are the key properties of methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate?
methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate has a molecular weight of 379.32 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 2512926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).