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

C17H13ClN2O5 — CID 18860866

IUPACN-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2occ(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2c1
InChIInChI=1S/C17H13ClN2O5/c1-24-12-3-5-16-13(8-12)10(9-25-16)6-17(21)19-15-4-2-11(20(22)23)7-14(15)18/h2-5,7-9H,6H2,1H3,(H,19,21)
InChIKeyWTULWXDWAXEOHW-UHFFFAOYSA-N
MW360.75 g/mol
LogP4.18
Rot. Bonds5

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

N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 18860866) has the molecular formula C17H13ClN2O5 and a molecular weight of 360.75 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID18860866
Molecular FormulaC17H13ClN2O5
Molecular Weight360.75 g/mol
Exact Mass360.05
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2occ(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2c1
InChIInChI=1S/C17H13ClN2O5/c1-24-12-3-5-16-13(8-12)10(9-25-16)6-17(21)19-15-4-2-11(20(22)23)7-14(15)18/h2-5,7-9H,6H2,1H3,(H,19,21)
InChIKeyWTULWXDWAXEOHW-UHFFFAOYSA-N
XLogP4.18
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 54.18
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

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 18872055
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 17450420
N-(3-chloro-2-methylphenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860265
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705003
N-[(2-chloro-4-nitrophenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4925407
2-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222930
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate
CID 46509958
2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860246
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide
CID 18872044
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 16913165
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide (CID 18860866) is N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2occ(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2c1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is WTULWXDWAXEOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5/c1-24-12-3-5-16-13(8-12)10(9-25-16)6-17(21)19-15-4-2-11(20(22)23)7-14(15)18/h2-5,7-9H,6H2,1H3,(H,19,21).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide?
N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 360.75 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18860866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).