2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide

C12H9Cl2NO3 — CID 57022206

IUPAC2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NC1=CC(=O)OC1
InChIInChI=1S/C12H9Cl2NO3/c13-9-2-1-7(3-10(9)14)4-11(16)15-8-5-12(17)18-6-8/h1-3,5H,4,6H2,(H,15,16)
InChIKeyRHTMMTGVTHDNCK-UHFFFAOYSA-N
MW286.11 g/mol
LogP2.09
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide

2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide (PubChem CID 57022206) has the molecular formula C12H9Cl2NO3 and a molecular weight of 286.11 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
PubChem CID57022206
Molecular FormulaC12H9Cl2NO3
Molecular Weight286.11 g/mol
Exact Mass285.00
IUPAC Name2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NC1=CC(=O)OC1
InChIInChI=1S/C12H9Cl2NO3/c13-9-2-1-7(3-10(9)14)4-11(16)15-8-5-12(17)18-6-8/h1-3,5H,4,6H2,(H,15,16)
InChIKeyRHTMMTGVTHDNCK-UHFFFAOYSA-N
XLogP2.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
CID 54563968
1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea
CID 139933614
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 115599301
2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691199
[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid
CID 146586124
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 63154381
2-(3,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2555577
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide (CID 57022206) is 2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NC1=CC(=O)OC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide?
The InChIKey is RHTMMTGVTHDNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3/c13-9-2-1-7(3-10(9)14)4-11(16)15-8-5-12(17)18-6-8/h1-3,5H,4,6H2,(H,15,16).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide?
2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide has a molecular weight of 286.11 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide is sourced from PubChem (CID 57022206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).