N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide

C14H15ClN2O3 — CID 176899539

IUPACN-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)cc2c1C(=O)C(NC(C)=O)CC2
InChIInChI=1S/C14H15ClN2O3/c1-7(18)16-11-4-3-9-5-10(15)6-12(17-8(2)19)13(9)14(11)20/h5-6,11H,3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWZFRTCUNHFGDCZ-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.93
Rot. Bonds2

About N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide

N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide (PubChem CID 176899539) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
PubChem CID176899539
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC NameN-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)cc2c1C(=O)C(NC(C)=O)CC2
InChIInChI=1S/C14H15ClN2O3/c1-7(18)16-11-4-3-9-5-10(15)6-12(17-8(2)19)13(9)14(11)20/h5-6,11H,3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWZFRTCUNHFGDCZ-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-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

Frequently Asked Questions

What is the IUPAC name of N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
The IUPAC name of N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide (CID 176899539) is N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide.
What is the SMILES notation for N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
The canonical SMILES for N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide is CC(=O)Nc1cc(Cl)cc2c1C(=O)C(NC(C)=O)CC2.
What is the InChIKey of N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
The InChIKey is WZFRTCUNHFGDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-7(18)16-11-4-3-9-5-10(15)6-12(17-8(2)19)13(9)14(11)20/h5-6,11H,3-4H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide has a molecular weight of 294.74 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide is sourced from PubChem (CID 176899539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).