2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide

C17H23BrN2O — CID 80974574

IUPAC2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NCC2CC3CCC(C2)N3C)c1
InChIInChI=1S/C17H23BrN2O/c1-11-3-6-16(18)15(7-11)17(21)19-10-12-8-13-4-5-14(9-12)20(13)2/h3,6-7,12-14H,4-5,8-10H2,1-2H3,(H,19,21)
InChIKeyNACCZNRTPVZRQM-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.36
Rot. Bonds3

About 2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide

2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide (PubChem CID 80974574) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
PubChem CID80974574
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NCC2CC3CCC(C2)N3C)c1
InChIInChI=1S/C17H23BrN2O/c1-11-3-6-16(18)15(7-11)17(21)19-10-12-8-13-4-5-14(9-12)20(13)2/h3,6-7,12-14H,4-5,8-10H2,1-2H3,(H,19,21)
InChIKeyNACCZNRTPVZRQM-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide with MolForge

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Related Compounds

2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61017183
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158
2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide
CID 114146890
2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81110131
4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61019144
2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 115678740
2-bromo-N-(2,2-difluoroethyl)-5-methylbenzamide
CID 81002658
5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
CID 61140945
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
CID 63897503
4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61074514
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
CID 61053293

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The IUPAC name of 2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide (CID 80974574) is 2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide is Cc1ccc(Br)c(C(=O)NCC2CC3CCC(C2)N3C)c1.
What is the InChIKey of 2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The InChIKey is NACCZNRTPVZRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-11-3-6-16(18)15(7-11)17(21)19-10-12-8-13-4-5-14(9-12)20(13)2/h3,6-7,12-14H,4-5,8-10H2,1-2H3,(H,19,21).
What are the key properties of 2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide has a molecular weight of 351.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide is sourced from PubChem (CID 80974574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).