N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide

C12H10N2O4 — CID 163233140

IUPACN-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cccc2cc([N+](=O)[O-])cc(O)c12
InChIInChI=1S/C12H10N2O4/c1-7(15)13-10-4-2-3-8-5-9(14(17)18)6-11(16)12(8)10/h2-6,16H,1H3,(H,13,15)
InChIKeyZHOMSPZUGZXVTF-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.41
Rot. Bonds2

About N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide

N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide (PubChem CID 163233140) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide
PubChem CID163233140
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC NameN-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cccc2cc([N+](=O)[O-])cc(O)c12
InChIInChI=1S/C12H10N2O4/c1-7(15)13-10-4-2-3-8-5-9(14(17)18)6-11(16)12(8)10/h2-6,16H,1H3,(H,13,15)
InChIKeyZHOMSPZUGZXVTF-UHFFFAOYSA-N
XLogP2.41
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.41
H-Bond Donors ≤ 52
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-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide
CID 163233093
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide
CID 163232939
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
2-methyl-N-(6-nitronaphthalen-1-yl)propanamide
CID 163232974
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
N-(8-hydroxy-6-methylnaphthalen-1-yl)-2-methylpropanamide
CID 170421492
N-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide
CID 170421486
bis(8-acetamido-1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate);chromium(3+);N-cyclohexylcyclohexanamine;hydron
CID 154734702
N-[2,6-di(propan-2-yl)phenyl]acetamide;N-[4-nitro-2,6-di(propan-2-yl)phenyl]acetamide
CID 158896077
3-acetamido-2-nitrobenzoate
CID 7154741

Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide?
The IUPAC name of N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide (CID 163233140) is N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide?
The canonical SMILES for N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide is CC(=O)Nc1cccc2cc([N+](=O)[O-])cc(O)c12.
What is the InChIKey of N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide?
The InChIKey is ZHOMSPZUGZXVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-7(15)13-10-4-2-3-8-5-9(14(17)18)6-11(16)12(8)10/h2-6,16H,1H3,(H,13,15).
What are the key properties of N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide?
N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide has a molecular weight of 246.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide is sourced from PubChem (CID 163233140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).