2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide

C14H18F2N2O — CID 62322988

IUPAC2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide
SMILESCC1CCCC(CNC(=O)c2ccc(F)cc2F)N1
InChIInChI=1S/C14H18F2N2O/c1-9-3-2-4-11(18-9)8-17-14(19)12-6-5-10(15)7-13(12)16/h5-7,9,11,18H,2-4,8H2,1H3,(H,17,19)
InChIKeyVODDDRFQQUSGJQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.23
Rot. Bonds3

About 2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide

2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide (PubChem CID 62322988) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide
PubChem CID62322988
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide
SMILESCC1CCCC(CNC(=O)c2ccc(F)cc2F)N1
InChIInChI=1S/C14H18F2N2O/c1-9-3-2-4-11(18-9)8-17-14(19)12-6-5-10(15)7-13(12)16/h5-7,9,11,18H,2-4,8H2,1H3,(H,17,19)
InChIKeyVODDDRFQQUSGJQ-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-hydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 107675740
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
2-fluoro-5-methyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62516361
4-hydroxy-2-methyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 107671386
2,3-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62322107
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride
CID 84586603
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
2-(4-methylphenyl)-N-[(6-methylpiperidin-2-yl)methyl]acetamide
CID 55057430
5-fluoro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 55182007
5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513769
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone
CID 107176233

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide (CID 62322988) is 2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide is CC1CCCC(CNC(=O)c2ccc(F)cc2F)N1.
What is the InChIKey of 2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide?
The InChIKey is VODDDRFQQUSGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9-3-2-4-11(18-9)8-17-14(19)12-6-5-10(15)7-13(12)16/h5-7,9,11,18H,2-4,8H2,1H3,(H,17,19).
What are the key properties of 2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide?
2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide has a molecular weight of 268.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide is sourced from PubChem (CID 62322988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).