4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide

C18H25BrN2O — CID 1461488

IUPAC4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccc(Br)cc1)C2
InChIInChI=1S/C18H25BrN2O/c1-2-10-21-16-4-3-5-17(21)12-15(11-16)20-18(22)13-6-8-14(19)9-7-13/h6-9,15-17H,2-5,10-12H2,1H3,(H,20,22)/t16-,17-/m1/s1
InChIKeySCKFSSSZHLIFAQ-IAGOWNOFSA-N
MW365.32 g/mol
LogP3.97
Rot. Bonds4

About 4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide

4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (PubChem CID 1461488) has the molecular formula C18H25BrN2O and a molecular weight of 365.32 g/mol. Its IUPAC name is 4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
PubChem CID1461488
Molecular FormulaC18H25BrN2O
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC Name4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccc(Br)cc1)C2
InChIInChI=1S/C18H25BrN2O/c1-2-10-21-16-4-3-5-17(21)12-15(11-16)20-18(22)13-6-8-14(19)9-7-13/h6-9,15-17H,2-5,10-12H2,1H3,(H,20,22)/t16-,17-/m1/s1
InChIKeySCKFSSSZHLIFAQ-IAGOWNOFSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide with MolForge

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Related Compounds

4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 3217980
4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461459
4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461516
3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461469
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide
CID 654699
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470115
4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892080
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
(E)-3-phenyl-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]prop-2-enamide
CID 7403091
4-methoxy-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467032

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The IUPAC name of 4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (CID 1461488) is 4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The canonical SMILES for 4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccc(Br)cc1)C2.
What is the InChIKey of 4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The InChIKey is SCKFSSSZHLIFAQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H25BrN2O/c1-2-10-21-16-4-3-5-17(21)12-15(11-16)20-18(22)13-6-8-14(19)9-7-13/h6-9,15-17H,2-5,10-12H2,1H3,(H,20,22)/t16-,17-/m1/s1.
What are the key properties of 4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide has a molecular weight of 365.32 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is sourced from PubChem (CID 1461488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).