9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide

C16H21ClN2O2 — CID 120993419

IUPAC9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)Nc1ccc(Cl)cc1O)C2
InChIInChI=1S/C16H21ClN2O2/c17-12-4-5-13(14(20)8-12)19-16(21)11-6-9-2-1-3-10(7-11)15(9)18/h4-5,8-11,15,20H,1-3,6-7,18H2,(H,19,21)
InChIKeyFUUNVRFOVUTSOK-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.14
Rot. Bonds2

About 9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120993419) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120993419
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)Nc1ccc(Cl)cc1O)C2
InChIInChI=1S/C16H21ClN2O2/c17-12-4-5-13(14(20)8-12)19-16(21)11-6-9-2-1-3-10(7-11)15(9)18/h4-5,8-11,15,20H,1-3,6-7,18H2,(H,19,21)
InChIKeyFUUNVRFOVUTSOK-UHFFFAOYSA-N
XLogP3.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.14
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-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989687
9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120983348
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
9-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984131
1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 60594428
9-amino-N-(3-bromo-2-hydroxy-5-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120994159
9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987894
9-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986921
N-(4-chloro-2-hydroxyphenyl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)cyclohexane-1-carboxamide
CID 2951116
9-amino-N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989651
9-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120991215

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120993419) is 9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)Nc1ccc(Cl)cc1O)C2.
What is the InChIKey of 9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is FUUNVRFOVUTSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-12-4-5-13(14(20)8-12)19-16(21)11-6-9-2-1-3-10(7-11)15(9)18/h4-5,8-11,15,20H,1-3,6-7,18H2,(H,19,21).
What are the key properties of 9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120993419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).