3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C18H23ClN2O2 — CID 119781796

IUPAC3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)Nc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C18H22N2O2.ClH/c19-17-12-5-4-11(8-12)16(17)18(22)20-13-7-6-10-2-1-3-15(21)14(10)9-13;/h6-7,9,11-12,16-17H,1-5,8,19H2,(H,20,22);1H
InChIKeyKFQARVAWNRELDG-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.94
Rot. Bonds2

About 3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119781796) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119781796
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)Nc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C18H22N2O2.ClH/c19-17-12-5-4-11(8-12)16(17)18(22)20-13-7-6-10-2-1-3-15(21)14(10)9-13;/h6-7,9,11-12,16-17H,1-5,8,19H2,(H,20,22);1H
InChIKeyKFQARVAWNRELDG-UHFFFAOYSA-N
XLogP2.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
(1S,2S,3S,4S)-3-(2,3-dihydro-1H-inden-5-ylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124553066
3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119680372
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119322556
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702824
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
(1R,2S,3R,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396159
(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163395688
3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702041
3-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119718964
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119781796) is 3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)Nc1ccc2c(c1)C(=O)CCC2.
What is the InChIKey of 3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is KFQARVAWNRELDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c19-17-12-5-4-11(8-12)16(17)18(22)20-13-7-6-10-2-1-3-15(21)14(10)9-13;/h6-7,9,11-12,16-17H,1-5,8,19H2,(H,20,22);1H.
What are the key properties of 3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119781796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).