2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide

C21H16N2O4 — CID 16797044

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1[N+](=O)[O-]
InChIInChI=1S/C21H16N2O4/c1-13-6-8-16(11-18(13)23(25)26)22-20(24)10-15-12-27-19-9-7-14-4-2-3-5-17(14)21(15)19/h2-9,11-12H,10H2,1H3,(H,22,24)
InChIKeyGMWWFJYXIAAWLW-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.98
Rot. Bonds4

About 2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide (PubChem CID 16797044) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide
PubChem CID16797044
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1[N+](=O)[O-]
InChIInChI=1S/C21H16N2O4/c1-13-6-8-16(11-18(13)23(25)26)22-20(24)10-15-12-27-19-9-7-14-4-2-3-5-17(14)21(15)19/h2-9,11-12H,10H2,1H3,(H,22,24)
InChIKeyGMWWFJYXIAAWLW-UHFFFAOYSA-N
XLogP4.98
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.98
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-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 26575746
2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 7915193
2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1281578
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4289889
2-benzo[e][1]benzofuran-1-yl-N-[2-(4-nitroanilino)ethyl]acetamide
CID 46415646
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide
CID 34543248
N-(4-methyl-3-nitrophenyl)-2-phenylsulfanylacetamide
CID 2206801
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 16605099
2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 110485842
2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 4728274
1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea
CID 6611556
2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 18860779

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide (CID 16797044) is 2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide is Cc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1[N+](=O)[O-].
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide?
The InChIKey is GMWWFJYXIAAWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-13-6-8-16(11-18(13)23(25)26)22-20(24)10-15-12-27-19-9-7-14-4-2-3-5-17(14)21(15)19/h2-9,11-12H,10H2,1H3,(H,22,24).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide has a molecular weight of 360.37 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 16797044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).