N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide

C20H18F4N2O2 — CID 108555137

IUPACN-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F4N2O2/c21-14-7-5-13(6-8-14)19(28)26-11-9-15(10-12-26)25-18(27)16-3-1-2-4-17(16)20(22,23)24/h1-8,15H,9-12H2,(H,25,27)
InChIKeyJBTLJIATVYXSBP-UHFFFAOYSA-N
MW394.37 g/mol
LogP3.88
Rot. Bonds3

About N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide

N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide (PubChem CID 108555137) has the molecular formula C20H18F4N2O2 and a molecular weight of 394.37 g/mol. Its IUPAC name is N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
PubChem CID108555137
Molecular FormulaC20H18F4N2O2
Molecular Weight394.37 g/mol
Exact Mass394.13
IUPAC NameN-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F4N2O2/c21-14-7-5-13(6-8-14)19(28)26-11-9-15(10-12-26)25-18(27)16-3-1-2-4-17(16)20(22,23)24/h1-8,15H,9-12H2,(H,25,27)
InChIKeyJBTLJIATVYXSBP-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555134
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 38215685
N-[1-[1-[4-(2-phenylethynyl)benzoyl]piperidin-4-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 171684796
ethyl [4-[4-[[2-(trifluoromethyl)benzoyl]amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930391
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561789
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
2-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549263
(4-fluorophenyl)-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 108544244
3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108555379
4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 166220491
N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47796880
2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide (CID 108555137) is N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide is O=C(NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is JBTLJIATVYXSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O2/c21-14-7-5-13(6-8-14)19(28)26-11-9-15(10-12-26)25-18(27)16-3-1-2-4-17(16)20(22,23)24/h1-8,15H,9-12H2,(H,25,27).
What are the key properties of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 394.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108555137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).