2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide

C19H17N3O3 — CID 8593287

IUPAC2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H17N3O3/c1-21(18-9-6-14-4-2-3-5-15(14)12-18)13-19(23)20-16-7-10-17(11-8-16)22(24)25/h2-12H,13H2,1H3,(H,20,23)
InChIKeyBQKLCGMPTMJAEV-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.82
Rot. Bonds5

About 2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide

2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide (PubChem CID 8593287) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide
PubChem CID8593287
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H17N3O3/c1-21(18-9-6-14-4-2-3-5-15(14)12-18)13-19(23)20-16-7-10-17(11-8-16)22(24)25/h2-12H,13H2,1H3,(H,20,23)
InChIKeyBQKLCGMPTMJAEV-UHFFFAOYSA-N
XLogP3.82
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
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 2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)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,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
CID 8593205
2-[methyl(naphthalen-2-yl)amino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 31377740
2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 31479768
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593303
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593215
N-(2-acetylphenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593322
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
N-(2,5-difluorophenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593308
N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 25337456
2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide
CID 55381834
N-(2-ethyl-6-methylphenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593113
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide (CID 8593287) is 2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide is CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide?
The InChIKey is BQKLCGMPTMJAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-21(18-9-6-14-4-2-3-5-15(14)12-18)13-19(23)20-16-7-10-17(11-8-16)22(24)25/h2-12H,13H2,1H3,(H,20,23).
What are the key properties of 2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide?
2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide has a molecular weight of 335.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 8593287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).