4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C21H26ClFN2O — CID 119462137

IUPAC4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(-c2ccc(C(=O)NCC3CCCNC3)c(F)c2)cc1C.Cl
InChIInChI=1S/C21H25FN2O.ClH/c1-14-5-6-17(10-15(14)2)18-7-8-19(20(22)11-18)21(25)24-13-16-4-3-9-23-12-16;/h5-8,10-11,16,23H,3-4,9,12-13H2,1-2H3,(H,24,25);1H
InChIKeyHJMUYKJTCNHALK-UHFFFAOYSA-N
MW376.90 g/mol
LogP4.26
Rot. Bonds4

About 4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119462137) has the molecular formula C21H26ClFN2O and a molecular weight of 376.90 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119462137
Molecular FormulaC21H26ClFN2O
Molecular Weight376.90 g/mol
Exact Mass376.17
IUPAC Name4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(-c2ccc(C(=O)NCC3CCCNC3)c(F)c2)cc1C.Cl
InChIInChI=1S/C21H25FN2O.ClH/c1-14-5-6-17(10-15(14)2)18-7-8-19(20(22)11-18)21(25)24-13-16-4-3-9-23-12-16;/h5-8,10-11,16,23H,3-4,9,12-13H2,1-2H3,(H,24,25);1H
InChIKeyHJMUYKJTCNHALK-UHFFFAOYSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.90
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463599
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119533790
2-methyl-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462651
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
CID 119388030
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464322
1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195
2-fluoro-6-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 65433806
2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461515
1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460247

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119462137) is 4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is Cc1ccc(-c2ccc(C(=O)NCC3CCCNC3)c(F)c2)cc1C.Cl.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is HJMUYKJTCNHALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O.ClH/c1-14-5-6-17(10-15(14)2)18-7-8-19(20(22)11-18)21(25)24-13-16-4-3-9-23-12-16;/h5-8,10-11,16,23H,3-4,9,12-13H2,1-2H3,(H,24,25);1H.
What are the key properties of 4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 376.90 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119462137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).