2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide

C18H15ClN2O5 — CID 18872055

IUPAC2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c([N+](=O)[O-])c1
InChIInChI=1S/C18H15ClN2O5/c1-10-5-17-13(8-14(10)19)11(9-26-17)6-18(22)20-15-4-3-12(25-2)7-16(15)21(23)24/h3-5,7-9H,6H2,1-2H3,(H,20,22)
InChIKeyMHXGPVDOXJCZHR-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.49
Rot. Bonds5

About 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 18872055) has the molecular formula C18H15ClN2O5 and a molecular weight of 374.78 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID18872055
Molecular FormulaC18H15ClN2O5
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c([N+](=O)[O-])c1
InChIInChI=1S/C18H15ClN2O5/c1-10-5-17-13(8-14(10)19)11(9-26-17)6-18(22)20-15-4-3-12(25-2)7-16(15)21(23)24/h3-5,7-9H,6H2,1-2H3,(H,20,22)
InChIKeyMHXGPVDOXJCZHR-UHFFFAOYSA-N
XLogP4.49
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860866
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18871993
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide
CID 18872044
N-(3-chloro-2-methylphenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860265
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 17450420
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19170502
2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9099548
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665
N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 26364046

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 18872055) is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is MHXGPVDOXJCZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5/c1-10-5-17-13(8-14(10)19)11(9-26-17)6-18(22)20-15-4-3-12(25-2)7-16(15)21(23)24/h3-5,7-9H,6H2,1-2H3,(H,20,22).
What are the key properties of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 374.78 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 18872055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).