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

C17H24BrFN2O — CID 18165149

IUPAC2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(F)cc2Br)CCCCCC1
InChIInChI=1S/C17H24BrFN2O/c1-21(2)17(9-5-3-4-6-10-17)12-20-16(22)14-8-7-13(19)11-15(14)18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,22)
InChIKeyFBKSUSKXUHFQSC-UHFFFAOYSA-N
MW371.29 g/mol
LogP3.97
Rot. Bonds4

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

2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide (PubChem CID 18165149) has the molecular formula C17H24BrFN2O and a molecular weight of 371.29 g/mol. Its IUPAC name is 2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide
PubChem CID18165149
Molecular FormulaC17H24BrFN2O
Molecular Weight371.29 g/mol
Exact Mass370.11
IUPAC Name2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(F)cc2Br)CCCCCC1
InChIInChI=1S/C17H24BrFN2O/c1-21(2)17(9-5-3-4-6-10-17)12-20-16(22)14-8-7-13(19)11-15(14)18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,22)
InChIKeyFBKSUSKXUHFQSC-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-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
CID 18165179
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide
CID 83107917
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
1-[[(2-bromo-4-fluorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362165
2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039867
2-bromo-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891841
2-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-4-fluorobenzamide
CID 83120854
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide
CID 103940090
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide
CID 105416225
3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 107952216
1-[[(2-bromo-5-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435855

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide (CID 18165149) is 2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide is CN(C)C1(CNC(=O)c2ccc(F)cc2Br)CCCCCC1.
What is the InChIKey of 2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide?
The InChIKey is FBKSUSKXUHFQSC-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(19)11-15(14)18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of 2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide?
2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-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 2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 18165149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).