9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C16H22Cl2N2O2 — CID 120989687

IUPAC9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)Nc1cccc(Cl)c1O)C2
InChIInChI=1S/C16H21ClN2O2.ClH/c17-12-5-2-6-13(15(12)20)19-16(21)11-7-9-3-1-4-10(8-11)14(9)18;/h2,5-6,9-11,14,20H,1,3-4,7-8,18H2,(H,19,21);1H
InChIKeyHNFNILACCJETGE-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.56
Rot. Bonds2

About 9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120989687) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120989687
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)Nc1cccc(Cl)c1O)C2
InChIInChI=1S/C16H21ClN2O2.ClH/c17-12-5-2-6-13(15(12)20)19-16(21)11-7-9-3-1-4-10(8-11)14(9)18;/h2,5-6,9-11,14,20H,1,3-4,7-8,18H2,(H,19,21);1H
InChIKeyHNFNILACCJETGE-UHFFFAOYSA-N
XLogP3.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993419
9-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986921
9-amino-N-[3-(butanoylamino)-2-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987456
9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983116
9-amino-N-(3-bromo-2-hydroxy-5-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120994159
9-amino-N-(1-benzyl-2-oxo-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992316
9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120993023
9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120983348
9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985581
9-amino-N-(5-ethyl-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991518
9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988721
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120989687) is 9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)Nc1cccc(Cl)c1O)C2.
What is the InChIKey of 9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is HNFNILACCJETGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2.ClH/c17-12-5-2-6-13(15(12)20)19-16(21)11-7-9-3-1-4-10(8-11)14(9)18;/h2,5-6,9-11,14,20H,1,3-4,7-8,18H2,(H,19,21);1H.
What are the key properties of 9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 345.27 g/mol, XLogP of 3.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120989687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).