N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride

C16H24ClFN2O — CID 21409921

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
SMILESCN(C)C1(CNC(=O)c2ccc(F)cc2)CCCCC1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-19(2)16(10-4-3-5-11-16)12-18-15(20)13-6-8-14(17)9-7-13;/h6-9H,3-5,10-12H2,1-2H3,(H,18,20);1H
InChIKeyVAQIHMCFBXXPJA-UHFFFAOYSA-N
MW314.83 g/mol
LogP3.24
Rot. Bonds4

About N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride

N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride (PubChem CID 21409921) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
PubChem CID21409921
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
SMILESCN(C)C1(CNC(=O)c2ccc(F)cc2)CCCCC1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-19(2)16(10-4-3-5-11-16)12-18-15(20)13-6-8-14(17)9-7-13;/h6-9H,3-5,10-12H2,1-2H3,(H,18,20);1H
InChIKeyVAQIHMCFBXXPJA-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide
CID 16572718
2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide
CID 18165149
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
CID 71944374
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
CID 97190654
4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 4881417
N-[[1-(dimethylamino)cyclopentyl]methyl]-1H-indole-6-carboxamide
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N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide
CID 4781249
3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide
CID 104627729
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride (CID 21409921) is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride is CN(C)C1(CNC(=O)c2ccc(F)cc2)CCCCC1.Cl.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is VAQIHMCFBXXPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-19(2)16(10-4-3-5-11-16)12-18-15(20)13-6-8-14(17)9-7-13;/h6-9H,3-5,10-12H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride?
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 21409921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).