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

C20H16ClNO5 — CID 140834057

IUPAC[2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C20H16ClNO5/c1-12(23)26-16-17(24)20(2,14-9-6-10-15(21)11-14)27-19(16)22-18(25)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,22,25)
InChIKeyVNQDDXHPUKSMBR-UHFFFAOYSA-N
MW385.80 g/mol
LogP3.32
Rot. Bonds4

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

[2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140834057) has the molecular formula C20H16ClNO5 and a molecular weight of 385.80 g/mol. Its IUPAC name is [2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140834057
Molecular FormulaC20H16ClNO5
Molecular Weight385.80 g/mol
Exact Mass385.07
IUPAC Name[2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C20H16ClNO5/c1-12(23)26-16-17(24)20(2,14-9-6-10-15(21)11-14)27-19(16)22-18(25)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,22,25)
InChIKeyVNQDDXHPUKSMBR-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

[2-benzamido-5-(3-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834170
[2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833950
N-[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834390
[2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate
CID 140834227
N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)benzamide
CID 140833703
5-amino-2-(3-chlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
CID 90080344
[5-(4-chlorophenyl)-2-(2,5-dihydroxypyrrol-1-yl)-5-methyl-4-oxofuran-3-yl] acetate
CID 123420434
[5-(3,5-dichlorophenyl)-2-[ethylsulfonyl(methyl)amino]-5-methyl-4-oxofuran-3-yl] acetate
CID 174753587
[2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082181
[2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082257
(4-benzamidophenyl) acetate
CID 34734144
[2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833781

Frequently Asked Questions

What is the IUPAC name of [2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 140834057) is [2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2cccc(Cl)c2)C1=O.
What is the InChIKey of [2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is VNQDDXHPUKSMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO5/c1-12(23)26-16-17(24)20(2,14-9-6-10-15(21)11-14)27-19(16)22-18(25)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,22,25).
What are the key properties of [2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-benzamido-5-(3-chlorophenyl)-5-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 [2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140834057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).