N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide

C12H10N2O4 — CID 163233093

IUPACN-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cccc2c(O)cc([N+](=O)[O-])cc12
InChIInChI=1S/C12H10N2O4/c1-7(15)13-11-4-2-3-9-10(11)5-8(14(17)18)6-12(9)16/h2-6,16H,1H3,(H,13,15)
InChIKeyAJPKMPJWDJIPJI-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.41
Rot. Bonds2

About N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide

N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide (PubChem CID 163233093) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide
PubChem CID163233093
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC NameN-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cccc2c(O)cc([N+](=O)[O-])cc12
InChIInChI=1S/C12H10N2O4/c1-7(15)13-11-4-2-3-9-10(11)5-8(14(17)18)6-12(9)16/h2-6,16H,1H3,(H,13,15)
InChIKeyAJPKMPJWDJIPJI-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'}

Analyze N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide
CID 163232939
N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide
CID 163233140
methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate
CID 163233043
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
N-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea
CID 64793841
4-hydroxy-8-[(5-methyl-2-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
CID 57124552
N-[2,6-di(propan-2-yl)phenyl]acetamide;N-[4-nitro-2,6-di(propan-2-yl)phenyl]acetamide
CID 158896077

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide?
The IUPAC name of N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide (CID 163233093) is N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide?
The canonical SMILES for N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide is CC(=O)Nc1cccc2c(O)cc([N+](=O)[O-])cc12.
What is the InChIKey of N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide?
The InChIKey is AJPKMPJWDJIPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-7(15)13-11-4-2-3-9-10(11)5-8(14(17)18)6-12(9)16/h2-6,16H,1H3,(H,13,15).
What are the key properties of N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide?
N-(5-hydroxy-7-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-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide is sourced from PubChem (CID 163233093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).