2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide

C16H20BrClN2O — CID 104723624

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CC2CC3CCC(C2)N3)cc1Cl
InChIInChI=1S/C16H20BrClN2O/c1-9-4-13(17)15(8-14(9)18)20-16(21)7-10-5-11-2-3-12(6-10)19-11/h4,8,10-12,19H,2-3,5-7H2,1H3,(H,20,21)
InChIKeyFZYWDDYDNZWFDZ-UHFFFAOYSA-N
MW371.71 g/mol
LogP4.27
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide (PubChem CID 104723624) has the molecular formula C16H20BrClN2O and a molecular weight of 371.71 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
PubChem CID104723624
Molecular FormulaC16H20BrClN2O
Molecular Weight371.71 g/mol
Exact Mass370.04
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CC2CC3CCC(C2)N3)cc1Cl
InChIInChI=1S/C16H20BrClN2O/c1-9-4-13(17)15(8-14(9)18)20-16(21)7-10-5-11-2-3-12(6-10)19-11/h4,8,10-12,19H,2-3,5-7H2,1H3,(H,20,21)
InChIKeyFZYWDDYDNZWFDZ-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-(4-bromo-2,3-dichlorophenyl)acetamide
CID 107790306
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-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
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-(2,4,6-trimethylphenyl)acetamide
CID 79609586
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide
CID 79607339
N-(3-acetamido-4-methylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119711365
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide;dihydrochloride
CID 119895283

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide (CID 104723624) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide is Cc1cc(Br)c(NC(=O)CC2CC3CCC(C2)N3)cc1Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide?
The InChIKey is FZYWDDYDNZWFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrClN2O/c1-9-4-13(17)15(8-14(9)18)20-16(21)7-10-5-11-2-3-12(6-10)19-11/h4,8,10-12,19H,2-3,5-7H2,1H3,(H,20,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide has a molecular weight of 371.71 g/mol, XLogP of 4.27, 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-(2-bromo-5-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 104723624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).