[5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate

C20H16ClNO5 — CID 140681899

IUPAC[5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(C)OC(NC(=O)c2ccccc2)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H16ClNO5/c1-12-17(26-13(2)23)18(24)20(27-12,15-8-10-16(21)11-9-15)22-19(25)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25)
InChIKeyOBQVNQFQCMMQSD-UHFFFAOYSA-N
MW385.80 g/mol
LogP3.32
Rot. Bonds4

About [5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate

[5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140681899) has the molecular formula C20H16ClNO5 and a molecular weight of 385.80 g/mol. Its IUPAC name is [5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
PubChem CID140681899
Molecular FormulaC20H16ClNO5
Molecular Weight385.80 g/mol
Exact Mass385.07
IUPAC Name[5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(C)OC(NC(=O)c2ccccc2)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H16ClNO5/c1-12-17(26-13(2)23)18(24)20(27-12,15-8-10-16(21)11-9-15)22-19(25)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25)
InChIKeyOBQVNQFQCMMQSD-UHFFFAOYSA-N
XLogP3.32
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-chlorophenyl)-4-methyl-2-oxo-2H-pyran-3-yl]-4-methylbenzenecarboxamide
CID 1484457
2-Benzyloxy-2-(3-chloro-benzoylamino)-3,3,3-trifluoro-propionic acid ethyl ester
CID 2802434
ethyl 3-[(4-chlorobenzoyl)amino]-2-oxo-6-phenyl-2H-pyran-5-carboxylate
CID 1473617
N-[6-(4-chlorophenyl)-4-methyl-2-oxo-2H-pyran-3-yl]benzenecarboxamide
CID 1484445
N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833563
[2-Benzamido-5-(3-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833571
[2-Benzamido-5-(2-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833832
N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833981
[2-Benzamido-5-(2-chloro-5-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834233
[2-Benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834284
[2-Benzamido-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834303
[2-Benzamido-5-(3-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834364

Frequently Asked Questions

What is the IUPAC name of [5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate (CID 140681899) is [5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(C)OC(NC(=O)c2ccccc2)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of [5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is OBQVNQFQCMMQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO5/c1-12-17(26-13(2)23)18(24)20(27-12,15-8-10-16(21)11-9-15)22-19(25)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25).
What are the key properties of [5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate?
[5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 385.80 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140681899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).