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

C16H20BrFN2O — CID 61017183

IUPAC2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
SMILESCN1C2CCC1CC(CNC(=O)c1cc(F)ccc1Br)C2
InChIInChI=1S/C16H20BrFN2O/c1-20-12-3-4-13(20)7-10(6-12)9-19-16(21)14-8-11(18)2-5-15(14)17/h2,5,8,10,12-13H,3-4,6-7,9H2,1H3,(H,19,21)
InChIKeyTZDRYXFIDIAHRB-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.19
Rot. Bonds3

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

2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide (PubChem CID 61017183) has the molecular formula C16H20BrFN2O and a molecular weight of 355.25 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
PubChem CID61017183
Molecular FormulaC16H20BrFN2O
Molecular Weight355.25 g/mol
Exact Mass354.07
IUPAC Name2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
SMILESCN1C2CCC1CC(CNC(=O)c1cc(F)ccc1Br)C2
InChIInChI=1S/C16H20BrFN2O/c1-20-12-3-4-13(20)7-10(6-12)9-19-16(21)14-8-11(18)2-5-15(14)17/h2,5,8,10,12-13H,3-4,6-7,9H2,1H3,(H,19,21)
InChIKeyTZDRYXFIDIAHRB-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 80974574
2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 115678740
4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61019144
2-bromo-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-fluorobenzamide
CID 51947889
2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide
CID 47038122
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
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
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106123468
5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
CID 61140945
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
CID 120651990

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide (CID 61017183) is 2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide is CN1C2CCC1CC(CNC(=O)c1cc(F)ccc1Br)C2.
What is the InChIKey of 2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The InChIKey is TZDRYXFIDIAHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2O/c1-20-12-3-4-13(20)7-10(6-12)9-19-16(21)14-8-11(18)2-5-15(14)17/h2,5,8,10,12-13H,3-4,6-7,9H2,1H3,(H,19,21).
What are the key properties of 2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide has a molecular weight of 355.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide is sourced from PubChem (CID 61017183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).