2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide

C17H13ClN2O4 — CID 18872044

IUPAC2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3cccc([N+](=O)[O-])c3)c2cc1Cl
InChIInChI=1S/C17H13ClN2O4/c1-10-5-16-14(8-15(10)18)11(9-24-16)6-17(21)19-12-3-2-4-13(7-12)20(22)23/h2-5,7-9H,6H2,1H3,(H,19,21)
InChIKeyZEKMJPYCIMOQKY-UHFFFAOYSA-N
MW344.75 g/mol
LogP4.48
Rot. Bonds4

About 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide (PubChem CID 18872044) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide
PubChem CID18872044
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3cccc([N+](=O)[O-])c3)c2cc1Cl
InChIInChI=1S/C17H13ClN2O4/c1-10-5-16-14(8-15(10)18)11(9-24-16)6-17(21)19-12-3-2-4-13(7-12)20(22)23/h2-5,7-9H,6H2,1H3,(H,19,21)
InChIKeyZEKMJPYCIMOQKY-UHFFFAOYSA-N
XLogP4.48
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 2990500
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18871993
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide
CID 38113149
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide
CID 2986395
N-(3-acetylphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 18872372
N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860866
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide
CID 18872199
[2,4-dibromo-6-[2-(3-nitroanilino)-2-oxoethyl]phenyl] 2-chlorobenzoate
CID 134140579
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide (CID 18872044) is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide is Cc1cc2occ(CC(=O)Nc3cccc([N+](=O)[O-])c3)c2cc1Cl.
What is the InChIKey of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide?
The InChIKey is ZEKMJPYCIMOQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-10-5-16-14(8-15(10)18)11(9-24-16)6-17(21)19-12-3-2-4-13(7-12)20(22)23/h2-5,7-9H,6H2,1H3,(H,19,21).
What are the key properties of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide?
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide has a molecular weight of 344.75 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 18872044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).