N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide

C20H22F2N2O — CID 166209181

IUPACN-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCc1cc(F)ccc1F)c1ccccc1CC1CCNCC1
InChIInChI=1S/C20H22F2N2O/c21-17-5-6-19(22)16(12-17)13-24-20(25)18-4-2-1-3-15(18)11-14-7-9-23-10-8-14/h1-6,12,14,23H,7-11,13H2,(H,24,25)
InChIKeyXUIJAFFUEKWEJA-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.44
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide

N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide (PubChem CID 166209181) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide
PubChem CID166209181
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCc1cc(F)ccc1F)c1ccccc1CC1CCNCC1
InChIInChI=1S/C20H22F2N2O/c21-17-5-6-19(22)16(12-17)13-24-20(25)18-4-2-1-3-15(18)11-14-7-9-23-10-8-14/h1-6,12,14,23H,7-11,13H2,(H,24,25)
InChIKeyXUIJAFFUEKWEJA-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438
N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171712860
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614
N-[(2,5-difluorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63373922
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
N-[(2,5-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3421206
2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63794440
4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine
CID 117463711
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide (CID 166209181) is N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide is O=C(NCc1cc(F)ccc1F)c1ccccc1CC1CCNCC1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide?
The InChIKey is XUIJAFFUEKWEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O/c21-17-5-6-19(22)16(12-17)13-24-20(25)18-4-2-1-3-15(18)11-14-7-9-23-10-8-14/h1-6,12,14,23H,7-11,13H2,(H,24,25).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide?
N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide has a molecular weight of 344.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 166209181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).