[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate

C19H12ClF2NO6 — CID 27998441

IUPAC[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2cc(Cl)ccc2o1)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H12ClF2NO6/c20-12-3-6-14-11(7-12)8-15(29-14)18(26)27-9-16(24)23-17(25)10-1-4-13(5-2-10)28-19(21)22/h1-8,19H,9H2,(H,23,24,25)
InChIKeyKWFKLLIVLAWMAZ-UHFFFAOYSA-N
MW423.76 g/mol
LogP3.80
Rot. Bonds6

About [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate (PubChem CID 27998441) has the molecular formula C19H12ClF2NO6 and a molecular weight of 423.76 g/mol. Its IUPAC name is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
PubChem CID27998441
Molecular FormulaC19H12ClF2NO6
Molecular Weight423.76 g/mol
Exact Mass423.03
IUPAC Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2cc(Cl)ccc2o1)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H12ClF2NO6/c20-12-3-6-14-11(7-12)8-15(29-14)18(26)27-9-16(24)23-17(25)10-1-4-13(5-2-10)28-19(21)22/h1-8,19H,9H2,(H,23,24,25)
InChIKeyKWFKLLIVLAWMAZ-UHFFFAOYSA-N
XLogP3.80
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate with MolForge

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Related Compounds

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate
CID 43026963
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 30327868
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790075
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 8018736
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 27998412
N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide
CID 2366971
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646805
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55321965
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612438
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate
CID 55312518
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507560
[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 9477631

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate?
The IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate (CID 27998441) is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate is O=C(COC(=O)c1cc2cc(Cl)ccc2o1)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate?
The InChIKey is KWFKLLIVLAWMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2NO6/c20-12-3-6-14-11(7-12)8-15(29-14)18(26)27-9-16(24)23-17(25)10-1-4-13(5-2-10)28-19(21)22/h1-8,19H,9H2,(H,23,24,25).
What are the key properties of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate?
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate has a molecular weight of 423.76 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 27998441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).