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

C12H9Cl2NO3 — CID 54523275

IUPAC2-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NC1=CC(=O)OC1
InChIInChI=1S/C12H9Cl2NO3/c13-8-2-1-7(10(14)4-8)3-11(16)15-9-5-12(17)18-6-9/h1-2,4-5H,3,6H2,(H,15,16)
InChIKeyYRISMALZPUYMMX-UHFFFAOYSA-N
MW286.11 g/mol
LogP2.09
Rot. Bonds3

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

2-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide (PubChem CID 54523275) has the molecular formula C12H9Cl2NO3 and a molecular weight of 286.11 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
PubChem CID54523275
Molecular FormulaC12H9Cl2NO3
Molecular Weight286.11 g/mol
Exact Mass285.00
IUPAC Name2-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NC1=CC(=O)OC1
InChIInChI=1S/C12H9Cl2NO3/c13-8-2-1-7(10(14)4-8)3-11(16)15-9-5-12(17)18-6-9/h1-2,4-5H,3,6H2,(H,15,16)
InChIKeyYRISMALZPUYMMX-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

ethyl 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70697129
(z)-Ethyl 3-(4-chlorobenzamido)but-2-enoate
CID 98075820
Ethyl 3-[(2,4-dichlorobenzoyl)amino]-4,4,4-trifluorobut-2-enoate
CID 3794460
ethyl (E)-3-[(2,4-dichlorobenzoyl)amino]-4,4,4-trifluoro-2-butenoate
CID 5924778
2-Butenoic acid, 3-[(4-chlorobenzoyl)amino]-, ethyl ester
CID 6017337
Ethyl 2-[(2,4-dichlorobenzoyl)amino]-3-methylbut-2-enoate
CID 13689931
3,4-dichloro-N-(5-oxo-2H-furan-3-yl)benzamide
CID 53637185
4-butyl-3-chloro-N-(5-oxo-2H-furan-3-yl)benzamide
CID 53783240
3-chloro-4-methyl-N-(5-oxo-2H-furan-3-yl)benzamide
CID 53805538
4-chloro-N-(5-oxo-2H-furan-3-yl)benzamide
CID 53912030
3-chloro-4-ethyl-N-(5-oxo-2H-furan-3-yl)benzamide
CID 53921859
3-chloro-N-(5-oxo-2H-furan-3-yl)-4-propylbenzamide
CID 54217620

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide (CID 54523275) is 2-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide is O=C(Cc1ccc(Cl)cc1Cl)NC1=CC(=O)OC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide?
The InChIKey is YRISMALZPUYMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3/c13-8-2-1-7(10(14)4-8)3-11(16)15-9-5-12(17)18-6-9/h1-2,4-5H,3,6H2,(H,15,16).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide?
2-(2,4-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-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide is sourced from PubChem (CID 54523275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).