2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide

C21H23F2N3O2 — CID 166296875

IUPAC2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCNC(=O)c1ccc(CN2CCC(NC(=O)c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C21H23F2N3O2/c1-24-20(27)15-4-2-14(3-5-15)13-26-10-8-17(9-11-26)25-21(28)18-7-6-16(22)12-19(18)23/h2-7,12,17H,8-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyUSRRARWXSRGHBT-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.72
Rot. Bonds5

About 2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide

2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 166296875) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID166296875
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCNC(=O)c1ccc(CN2CCC(NC(=O)c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C21H23F2N3O2/c1-24-20(27)15-4-2-14(3-5-15)13-26-10-8-17(9-11-26)25-21(28)18-7-6-16(22)12-19(18)23/h2-7,12,17H,8-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyUSRRARWXSRGHBT-UHFFFAOYSA-N
XLogP2.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
N-[1-(cyanomethyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 63625204
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 24964486
2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 95107187
[4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone
CID 24724427
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804
4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 34795547
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 166296875) is 2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide is CNC(=O)c1ccc(CN2CCC(NC(=O)c3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of 2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is USRRARWXSRGHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-24-20(27)15-4-2-14(3-5-15)13-26-10-8-17(9-11-26)25-21(28)18-7-6-16(22)12-19(18)23/h2-7,12,17H,8-11,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide?
2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 387.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 166296875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).