N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide

C18H14N2O3 — CID 699117

IUPACN-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H14N2O3/c1-11(21)19-12-6-8-13(9-7-12)20-16-10-17(22)14-4-2-3-5-15(14)18(16)23/h2-10,20H,1H3,(H,19,21)
InChIKeySKJJFXPZPKUGCG-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.02
Rot. Bonds3

About N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide

N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide (PubChem CID 699117) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide
PubChem CID699117
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H14N2O3/c1-11(21)19-12-6-8-13(9-7-12)20-16-10-17(22)14-4-2-3-5-15(14)18(16)23/h2-10,20H,1H3,(H,19,21)
InChIKeySKJJFXPZPKUGCG-UHFFFAOYSA-N
XLogP3.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]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

PJ-34
CID 4858
2-Phenylamino-1,4-naphthoquinone
CID 81124
Corinth flour
CID 66479
Q182 4-Anilino-1,2-naphthoquinone
CID 344131
2-Anilino-3-chloro-1,4-naphthoquinone
CID 14161
2-Toluanilide
CID 23466
N-(9,10-Dihydro-9,10-dioxo-2-phenanthrenyl)-2,2-dimethyl-propanamide
CID 9926586
3-Oxo-3-phenylpropionanilide
CID 70398
4,4'-Diaminobenzanilide
CID 69917
Benzamide, N-(4-aminophenyl)-
CID 87196
6(5h)-Phenanthridinone, 2-amino-
CID 270668
N-(5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 2780190

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide (CID 699117) is N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide?
The InChIKey is SKJJFXPZPKUGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11(21)19-12-6-8-13(9-7-12)20-16-10-17(22)14-4-2-3-5-15(14)18(16)23/h2-10,20H,1H3,(H,19,21).
What are the key properties of N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide?
N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide has a molecular weight of 306.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 699117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).