N-(5-nitronaphthalen-2-yl)acetamide

C12H10N2O3 — CID 825939

IUPACN-(5-nitronaphthalen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c([N+](=O)[O-])cccc2c1
InChIInChI=1S/C12H10N2O3/c1-8(15)13-10-5-6-11-9(7-10)3-2-4-12(11)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeyIFWPKYVZNBTNET-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.71
Rot. Bonds2

About N-(5-nitronaphthalen-2-yl)acetamide

N-(5-nitronaphthalen-2-yl)acetamide (PubChem CID 825939) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is N-(5-nitronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-nitronaphthalen-2-yl)acetamide
PubChem CID825939
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC NameN-(5-nitronaphthalen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c([N+](=O)[O-])cccc2c1
InChIInChI=1S/C12H10N2O3/c1-8(15)13-10-5-6-11-9(7-10)3-2-4-12(11)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeyIFWPKYVZNBTNET-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-(8-nitronaphthalen-2-yl)acetamide
CID 615480
2,2-dimethyl-1-(5-nitronaphthalen-2-yl)propan-1-one
CID 10978106
N-(5-nitroisoquinolin-3-yl)acetamide
CID 16749041
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
2-(5-acetamido-2-nitrophenyl)acetic acid
CID 86172139
1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea
CID 56990515
1-nitronaphthalene;hydrate
CID 174470741
1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea
CID 6611556
N-(4-nitro-1-benzofuran-2-yl)acetamide
CID 4977160
5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 60567199
N-(4-butyl-3-nitrophenyl)acetamide
CID 71393805
N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide
CID 110317083

Frequently Asked Questions

What is the IUPAC name of N-(5-nitronaphthalen-2-yl)acetamide?
The IUPAC name of N-(5-nitronaphthalen-2-yl)acetamide (CID 825939) is N-(5-nitronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(5-nitronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(5-nitronaphthalen-2-yl)acetamide is CC(=O)Nc1ccc2c([N+](=O)[O-])cccc2c1.
What is the InChIKey of N-(5-nitronaphthalen-2-yl)acetamide?
The InChIKey is IFWPKYVZNBTNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8(15)13-10-5-6-11-9(7-10)3-2-4-12(11)14(16)17/h2-7H,1H3,(H,13,15).
What are the key properties of N-(5-nitronaphthalen-2-yl)acetamide?
N-(5-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-(5-nitronaphthalen-2-yl)acetamide is sourced from PubChem (CID 825939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).