[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate

C17H13F2NO6 — CID 7790075

IUPAC[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate
SMILESO=C(COC(=O)c1cccc(O)c1)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H13F2NO6/c18-17(19)26-13-6-4-10(5-7-13)15(23)20-14(22)9-25-16(24)11-2-1-3-12(21)8-11/h1-8,17,21H,9H2,(H,20,22,23)
InChIKeyVYWJFXUQCNUJEI-UHFFFAOYSA-N
MW365.29 g/mol
LogP2.11
Rot. Bonds6

About [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 7790075) has the molecular formula C17H13F2NO6 and a molecular weight of 365.29 g/mol. Its IUPAC name is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate
PubChem CID7790075
Molecular FormulaC17H13F2NO6
Molecular Weight365.29 g/mol
Exact Mass365.07
IUPAC Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate
SMILESO=C(COC(=O)c1cccc(O)c1)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H13F2NO6/c18-17(19)26-13-6-4-10(5-7-13)15(23)20-14(22)9-25-16(24)11-2-1-3-12(21)8-11/h1-8,17,21H,9H2,(H,20,22,23)
InChIKeyVYWJFXUQCNUJEI-UHFFFAOYSA-N
XLogP2.11
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 8018736
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 42970777
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate
CID 7790099
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507560
[2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7569623
N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide
CID 2366971
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 27998441
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 55311270
[2-(tert-butylamino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2693137
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate
CID 8673348
ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 31420731
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3-fluorobenzoate
CID 9198602

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate (CID 7790075) is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate is O=C(COC(=O)c1cccc(O)c1)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is VYWJFXUQCNUJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO6/c18-17(19)26-13-6-4-10(5-7-13)15(23)20-14(22)9-25-16(24)11-2-1-3-12(21)8-11/h1-8,17,21H,9H2,(H,20,22,23).
What are the key properties of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate?
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 365.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 7790075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).