9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide

C17H23BrN2O2 — CID 120989691

IUPAC9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC3CCCC(C2)C3N)cc1Br
InChIInChI=1S/C17H23BrN2O2/c1-22-15-6-5-13(9-14(15)18)20-17(21)12-7-10-3-2-4-11(8-12)16(10)19/h5-6,9-12,16H,2-4,7-8,19H2,1H3,(H,20,21)
InChIKeyVDAHUUAWQQBOOW-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.55
Rot. Bonds3

About 9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120989691) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120989691
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC3CCCC(C2)C3N)cc1Br
InChIInChI=1S/C17H23BrN2O2/c1-22-15-6-5-13(9-14(15)18)20-17(21)12-7-10-3-2-4-11(8-12)16(10)19/h5-6,9-12,16H,2-4,7-8,19H2,1H3,(H,20,21)
InChIKeyVDAHUUAWQQBOOW-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984318
9-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984029
N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide
CID 115150743
9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984649
N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893248
9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986614
9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985468
9-amino-N-[3-(2-methoxypropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987594
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(3-bromo-4-methoxyphenyl)carbamoyl chloride
CID 115194346

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120989691) is 9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide is COc1ccc(NC(=O)C2CC3CCCC(C2)C3N)cc1Br.
What is the InChIKey of 9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is VDAHUUAWQQBOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-22-15-6-5-13(9-14(15)18)20-17(21)12-7-10-3-2-4-11(8-12)16(10)19/h5-6,9-12,16H,2-4,7-8,19H2,1H3,(H,20,21).
What are the key properties of 9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 367.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120989691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).