3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide

C14H16F4N2O — CID 120598564

IUPAC3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide
SMILESCC1CC(NC(=O)c2cc(F)cc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C14H16F4N2O/c1-8-4-12(2-3-19-8)20-13(21)9-5-10(14(16,17)18)7-11(15)6-9/h5-8,12,19H,2-4H2,1H3,(H,20,21)
InChIKeyACSAMMBPIQGCMY-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.71
Rot. Bonds2

About 3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide

3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide (PubChem CID 120598564) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide
PubChem CID120598564
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide
SMILESCC1CC(NC(=O)c2cc(F)cc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C14H16F4N2O/c1-8-4-12(2-3-19-8)20-13(21)9-5-10(14(16,17)18)7-11(15)6-9/h5-8,12,19H,2-4H2,1H3,(H,20,21)
InChIKeyACSAMMBPIQGCMY-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119388602
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601431
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide
CID 120599207
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide (CID 120598564) is 3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide is CC1CC(NC(=O)c2cc(F)cc(C(F)(F)F)c2)CCN1.
What is the InChIKey of 3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is ACSAMMBPIQGCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c1-8-4-12(2-3-19-8)20-13(21)9-5-10(14(16,17)18)7-11(15)6-9/h5-8,12,19H,2-4H2,1H3,(H,20,21).
What are the key properties of 3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide?
3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 304.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 120598564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).