2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide

C14H18F2N2O — CID 79715450

IUPAC2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCN(CC1CCNCC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-18(9-10-4-6-17-7-5-10)14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyYDRICYNFHLGFRW-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.04
Rot. Bonds3

About 2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide

2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 79715450) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID79715450
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCN(CC1CCNCC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-18(9-10-4-6-17-7-5-10)14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyYDRICYNFHLGFRW-UHFFFAOYSA-N
XLogP2.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702095
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride
CID 22068232
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
2-fluoro-6-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107015989
2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209874
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107729991
2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 123315545
2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 144537748

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide (CID 79715450) is 2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide is CN(CC1CCNCC1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is YDRICYNFHLGFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-18(9-10-4-6-17-7-5-10)14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10,17H,4-7,9H2,1H3.
What are the key properties of 2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 268.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 79715450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).