2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide

C10H6ClNO3 — CID 144811542

IUPAC2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1cc2ccc(Cl)cc2o1
InChIInChI=1S/C10H6ClNO3/c11-6-2-1-5-3-8(9(13)10(12)14)15-7(5)4-6/h1-4H,(H2,12,14)
InChIKeyQMWZMDJZHHAQOH-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.75
Rot. Bonds2

About 2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide

2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide (PubChem CID 144811542) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide
PubChem CID144811542
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1cc2ccc(Cl)cc2o1
InChIInChI=1S/C10H6ClNO3/c11-6-2-1-5-3-8(9(13)10(12)14)15-7(5)4-6/h1-4H,(H2,12,14)
InChIKeyQMWZMDJZHHAQOH-UHFFFAOYSA-N
XLogP1.75
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide
CID 177140063
2-(6-chloro-1-benzofuran-2-yl)acetic acid
CID 82612573
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
2-(2,5-dichlorophenyl)-2-oxoacetamide
CID 139220452
(7-chloro-2-oxochromen-3-yl) acetate
CID 118378743
N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 110476452
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
bis(6-hydroxy-1-benzofuran-2-yl)methanone
CID 13393486
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
2-(2-bromo-5-chlorophenyl)-2-oxoacetamide
CID 139220453
2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 123198555
4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736251

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide?
The IUPAC name of 2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide (CID 144811542) is 2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide?
The canonical SMILES for 2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide is NC(=O)C(=O)c1cc2ccc(Cl)cc2o1.
What is the InChIKey of 2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide?
The InChIKey is QMWZMDJZHHAQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-6-2-1-5-3-8(9(13)10(12)14)15-7(5)4-6/h1-4H,(H2,12,14).
What are the key properties of 2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide?
2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide has a molecular weight of 223.62 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide is sourced from PubChem (CID 144811542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).