N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide

C17H23BrN2O — CID 119456815

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide
SMILESCc1cc(CCC(=O)NC2CC3CCC(C2)N3)ccc1Br
InChIInChI=1S/C17H23BrN2O/c1-11-8-12(2-6-16(11)18)3-7-17(21)20-15-9-13-4-5-14(10-15)19-13/h2,6,8,13-15,19H,3-5,7,9-10H2,1H3,(H,20,21)
InChIKeyJDBWKIXBYSLCGC-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.09
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide (PubChem CID 119456815) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide
PubChem CID119456815
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide
SMILESCc1cc(CCC(=O)NC2CC3CCC(C2)N3)ccc1Br
InChIInChI=1S/C17H23BrN2O/c1-11-8-12(2-6-16(11)18)3-7-17(21)20-15-9-13-4-5-14(10-15)19-13/h2,6,8,13-15,19H,3-5,7,9-10H2,1H3,(H,20,21)
InChIKeyJDBWKIXBYSLCGC-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-[3-(4-bromo-3-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676009
3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120600380
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride
CID 119457019
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119455766
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 119456262
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119457887
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-fluorophenyl)acetamide
CID 21132354
3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111912095
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(6-methyl-3-pyridinyl)acetamide
CID 119458332
4-[3-(4-bromo-3-methylphenyl)propanoylamino]butanoic acid
CID 167842148
N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119456259

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide (CID 119456815) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide is Cc1cc(CCC(=O)NC2CC3CCC(C2)N3)ccc1Br.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide?
The InChIKey is JDBWKIXBYSLCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-11-8-12(2-6-16(11)18)3-7-17(21)20-15-9-13-4-5-14(10-15)19-13/h2,6,8,13-15,19H,3-5,7,9-10H2,1H3,(H,20,21).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide has a molecular weight of 351.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide is sourced from PubChem (CID 119456815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).