[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate

C21H14F3NO6 — CID 43026963

IUPAC[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(F)cc2)o1)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H14F3NO6/c22-14-5-1-12(2-6-14)16-9-10-17(31-16)20(28)29-11-18(26)25-19(27)13-3-7-15(8-4-13)30-21(23)24/h1-10,21H,11H2,(H,25,26,27)
InChIKeyRYHNODSEHKJXLE-UHFFFAOYSA-N
MW433.34 g/mol
LogP3.80
Rot. Bonds7

About [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate (PubChem CID 43026963) has the molecular formula C21H14F3NO6 and a molecular weight of 433.34 g/mol. Its IUPAC name is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate
PubChem CID43026963
Molecular FormulaC21H14F3NO6
Molecular Weight433.34 g/mol
Exact Mass433.08
IUPAC Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(F)cc2)o1)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H14F3NO6/c22-14-5-1-12(2-6-14)16-9-10-17(31-16)20(28)29-11-18(26)25-19(27)13-3-7-15(8-4-13)30-21(23)24/h1-10,21H,11H2,(H,25,26,27)
InChIKeyRYHNODSEHKJXLE-UHFFFAOYSA-N
XLogP3.80
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 27799510
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646805
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 27998441
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 8018736
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790075
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507560
N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide
CID 2366971
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643755
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 42970777
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 55311270
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate
CID 8673348
[2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18080567

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate?
The IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate (CID 43026963) is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate.
What is the SMILES notation for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate?
The canonical SMILES for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate is O=C(COC(=O)c1ccc(-c2ccc(F)cc2)o1)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate?
The InChIKey is RYHNODSEHKJXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO6/c22-14-5-1-12(2-6-14)16-9-10-17(31-16)20(28)29-11-18(26)25-19(27)13-3-7-15(8-4-13)30-21(23)24/h1-10,21H,11H2,(H,25,26,27).
What are the key properties of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate?
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate has a molecular weight of 433.34 g/mol, XLogP of 3.80, 7 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-(4-fluorophenyl)furan-2-carboxylate is sourced from PubChem (CID 43026963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).