4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide

C17H24BrFN2O — CID 18165179

IUPAC4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(Br)cc2F)CCCCCC1
InChIInChI=1S/C17H24BrFN2O/c1-21(2)17(9-5-3-4-6-10-17)12-20-16(22)14-8-7-13(18)11-15(14)19/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,22)
InChIKeyQRYJVPSCUUMGSY-UHFFFAOYSA-N
MW371.29 g/mol
LogP3.97
Rot. Bonds4

About 4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide

4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide (PubChem CID 18165179) has the molecular formula C17H24BrFN2O and a molecular weight of 371.29 g/mol. Its IUPAC name is 4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
PubChem CID18165179
Molecular FormulaC17H24BrFN2O
Molecular Weight371.29 g/mol
Exact Mass370.11
IUPAC Name4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(Br)cc2F)CCCCCC1
InChIInChI=1S/C17H24BrFN2O/c1-21(2)17(9-5-3-4-6-10-17)12-20-16(22)14-8-7-13(18)11-15(14)19/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,22)
InChIKeyQRYJVPSCUUMGSY-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide
CID 83107917
2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide
CID 18165149
4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide
CID 103741352
N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride
CID 119404145
4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103722151
4-bromo-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119415
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide
CID 105416225
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115760193
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide
CID 119404297
1-[[(5-bromo-2-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435679

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide (CID 18165179) is 4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide is CN(C)C1(CNC(=O)c2ccc(Br)cc2F)CCCCCC1.
What is the InChIKey of 4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide?
The InChIKey is QRYJVPSCUUMGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2O/c1-21(2)17(9-5-3-4-6-10-17)12-20-16(22)14-8-7-13(18)11-15(14)19/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of 4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide?
4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide has a molecular weight of 371.29 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 18165179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).