2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide

C15H17BrCl2N2O — CID 107790306

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C15H17BrCl2N2O/c16-11-3-4-12(15(18)14(11)17)20-13(21)7-8-5-9-1-2-10(6-8)19-9/h3-4,8-10,19H,1-2,5-7H2,(H,20,21)
InChIKeyVYLMIQQAUXPEDT-UHFFFAOYSA-N
MW392.12 g/mol
LogP4.62
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide (PubChem CID 107790306) has the molecular formula C15H17BrCl2N2O and a molecular weight of 392.12 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide
PubChem CID107790306
Molecular FormulaC15H17BrCl2N2O
Molecular Weight392.12 g/mol
Exact Mass389.99
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C15H17BrCl2N2O/c16-11-3-4-12(15(18)14(11)17)20-13(21)7-8-5-9-1-2-10(6-8)19-9/h3-4,8-10,19H,1-2,5-7H2,(H,20,21)
InChIKeyVYLMIQQAUXPEDT-UHFFFAOYSA-N
XLogP4.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.12
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-4-chlorophenyl)acetamide
CID 81264370
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dibromophenyl)acetamide
CID 79606861
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103479368
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
CID 104723624
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide
CID 79606850
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide
CID 79607339
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-2-methylphenyl)acetamide
CID 79614826
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-dimethyl-3-pyridinyl)acetamide;dihydrochloride
CID 119858239
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 79607334
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119673021
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide (CID 107790306) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide is O=C(CC1CC2CCC(C1)N2)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide?
The InChIKey is VYLMIQQAUXPEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrCl2N2O/c16-11-3-4-12(15(18)14(11)17)20-13(21)7-8-5-9-1-2-10(6-8)19-9/h3-4,8-10,19H,1-2,5-7H2,(H,20,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide has a molecular weight of 392.12 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 107790306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).