N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide

C17H25FN2O — CID 16625894

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
SMILESCN(C)C1(CNC(=O)c2cccc(F)c2)CCCCCC1
InChIInChI=1S/C17H25FN2O/c1-20(2)17(10-5-3-4-6-11-17)13-19-16(21)14-8-7-9-15(18)12-14/h7-9,12H,3-6,10-11,13H2,1-2H3,(H,19,21)
InChIKeyCECWCFPPQCOZER-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.21
Rot. Bonds4

About N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide

N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide (PubChem CID 16625894) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
PubChem CID16625894
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
SMILESCN(C)C1(CNC(=O)c2cccc(F)c2)CCCCCC1
InChIInChI=1S/C17H25FN2O/c1-20(2)17(10-5-3-4-6-11-17)13-19-16(21)14-8-7-9-15(18)12-14/h7-9,12H,3-6,10-11,13H2,1-2H3,(H,19,21)
InChIKeyCECWCFPPQCOZER-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide
CID 83112832
2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide
CID 18165149
3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
CID 105417747
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide
CID 105416225
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 2501045
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 114758444
N-[[1-(dimethylamino)cyclopentyl]methyl]-1H-indole-6-carboxamide
CID 115282537
4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
CID 18165179
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide
CID 104627729

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide (CID 16625894) is N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide is CN(C)C1(CNC(=O)c2cccc(F)c2)CCCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide?
The InChIKey is CECWCFPPQCOZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-20(2)17(10-5-3-4-6-11-17)13-19-16(21)14-8-7-9-15(18)12-14/h7-9,12H,3-6,10-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide?
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide has a molecular weight of 292.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 16625894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).