N-(8-nitronaphthalen-2-yl)acetamide

C12H10N2O3 — CID 615480

IUPACN-(8-nitronaphthalen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2cccc([N+](=O)[O-])c2c1
InChIInChI=1S/C12H10N2O3/c1-8(15)13-10-6-5-9-3-2-4-12(14(16)17)11(9)7-10/h2-7H,1H3,(H,13,15)
InChIKeyMTUXJVADNJZDQS-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.71
Rot. Bonds2

About N-(8-nitronaphthalen-2-yl)acetamide

N-(8-nitronaphthalen-2-yl)acetamide (PubChem CID 615480) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is N-(8-nitronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-nitronaphthalen-2-yl)acetamide
PubChem CID615480
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC NameN-(8-nitronaphthalen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2cccc([N+](=O)[O-])c2c1
InChIInChI=1S/C12H10N2O3/c1-8(15)13-10-6-5-9-3-2-4-12(14(16)17)11(9)7-10/h2-7H,1H3,(H,13,15)
InChIKeyMTUXJVADNJZDQS-UHFFFAOYSA-N
XLogP2.71
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.71
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-(5-nitronaphthalen-2-yl)acetamide
CID 825939
1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea
CID 56990515
N-(5-nitroisoquinolin-3-yl)acetamide
CID 16749041
2-(5-acetamido-2-nitrophenyl)acetic acid
CID 86172139
(8-nitronaphthalen-2-yl)boronic acid
CID 163207362
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-(4-butyl-3-nitrophenyl)acetamide
CID 71393805
(5-acetamido-2-nitrophenyl)methyl acetate
CID 12004239
[2-(3-acetamidoanilino)-2-oxoethyl] 2-nitrobenzoate
CID 7864342
1-nitronaphthalene;hydrate
CID 174470741
8-nitronaphthalene-2-carbonitrile
CID 12060830
1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea
CID 6611556

Frequently Asked Questions

What is the IUPAC name of N-(8-nitronaphthalen-2-yl)acetamide?
The IUPAC name of N-(8-nitronaphthalen-2-yl)acetamide (CID 615480) is N-(8-nitronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(8-nitronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(8-nitronaphthalen-2-yl)acetamide is CC(=O)Nc1ccc2cccc([N+](=O)[O-])c2c1.
What is the InChIKey of N-(8-nitronaphthalen-2-yl)acetamide?
The InChIKey is MTUXJVADNJZDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8(15)13-10-6-5-9-3-2-4-12(14(16)17)11(9)7-10/h2-7H,1H3,(H,13,15).
What are the key properties of N-(8-nitronaphthalen-2-yl)acetamide?
N-(8-nitronaphthalen-2-yl)acetamide has a molecular weight of 230.22 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-nitronaphthalen-2-yl)acetamide is sourced from PubChem (CID 615480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).