N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide

C20H16N2O3 — CID 23875149

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H16N2O3/c23-19(12-13-4-9-16(10-5-13)22(24)25)21-18-11-8-15-7-6-14-2-1-3-17(18)20(14)15/h1-5,8-11H,6-7,12H2,(H,21,23)
InChIKeyDVGUGXIGZBSLAS-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.03
Rot. Bonds4

About N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide

N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide (PubChem CID 23875149) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide
PubChem CID23875149
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H16N2O3/c23-19(12-13-4-9-16(10-5-13)22(24)25)21-18-11-8-15-7-6-14-2-1-3-17(18)20(14)15/h1-5,8-11H,6-7,12H2,(H,21,23)
InChIKeyDVGUGXIGZBSLAS-UHFFFAOYSA-N
XLogP4.03
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838382
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
N-(1,2-dihydroacenaphthylen-5-yl)-5-nitro-2-piperazin-4-ium-1-ylbenzamide
CID 7328471
2-(1,2-dihydroacenaphthylen-5-ylamino)acetate
CID 7312561
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide
CID 9398234
7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
CID 119697802
N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide
CID 100511475
2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide
CID 31868499
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
N-(2-hydroxy-4-nitrophenyl)-2-(4-hydroxyphenyl)acetamide
CID 107745071
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide (CID 23875149) is N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide?
The InChIKey is DVGUGXIGZBSLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-19(12-13-4-9-16(10-5-13)22(24)25)21-18-11-8-15-7-6-14-2-1-3-17(18)20(14)15/h1-5,8-11H,6-7,12H2,(H,21,23).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 23875149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).