2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride

C12H15ClN2O2 — CID 119322556

IUPAC2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C12H14N2O2.ClH/c13-7-12(16)14-9-5-4-8-2-1-3-11(15)10(8)6-9;/h4-6H,1-3,7,13H2,(H,14,16);1H
InChIKeyHCSZUHLIVKZDJT-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride

2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride (PubChem CID 119322556) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
PubChem CID119322556
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C12H14N2O2.ClH/c13-7-12(16)14-9-5-4-8-2-1-3-11(15)10(8)6-9;/h4-6H,1-3,7,13H2,(H,14,16);1H
InChIKeyHCSZUHLIVKZDJT-UHFFFAOYSA-N
XLogP1.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide
CID 119781803
2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119781826
4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide
CID 120932205
3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119781796
(2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide
CID 119322563
1-cyclopropyl-1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)urea
CID 111840828
4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide
CID 111840825
4-methyl-4-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)carbamoylamino]pentanoic acid
CID 122086252
1-[2-(hydroxymethyl)cyclohexyl]-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)urea
CID 111840817
9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide
CID 166227055
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide
CID 14985976
1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea
CID 111840807

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride (CID 119322556) is 2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride is Cl.NCC(=O)Nc1ccc2c(c1)C(=O)CCC2.
What is the InChIKey of 2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride?
The InChIKey is HCSZUHLIVKZDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.ClH/c13-7-12(16)14-9-5-4-8-2-1-3-11(15)10(8)6-9;/h4-6H,1-3,7,13H2,(H,14,16);1H.
What are the key properties of 2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride?
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119322556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).