(2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride

C19H20Cl2F4N2O2 — CID 157218619

IUPAC(2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1)[C@H]1C[C@H](F)CCN1.[H][H]
InChIInChI=1S/C19H17ClF4N2O2.ClH.H2/c20-15-10-12(26-18(27)16-9-11(21)7-8-25-16)5-6-13(15)14-3-1-2-4-17(14)28-19(22,23)24;;/h1-6,10-11,16,25H,7-9H2,(H,26,27);2*1H/t11-,16-;;/m1../s1
InChIKeyLEJFXFVHQUNDAM-DIJRCLTCSA-N
MW455.28 g/mol
LogP5.60
Rot. Bonds4

About (2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride

(2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride (PubChem CID 157218619) has the molecular formula C19H20Cl2F4N2O2 and a molecular weight of 455.28 g/mol. Its IUPAC name is (2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride.

Molecular Properties

Compound Name(2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride
PubChem CID157218619
Molecular FormulaC19H20Cl2F4N2O2
Molecular Weight455.28 g/mol
Exact Mass454.08
IUPAC Name(2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1)[C@H]1C[C@H](F)CCN1.[H][H]
InChIInChI=1S/C19H17ClF4N2O2.ClH.H2/c20-15-10-12(26-18(27)16-9-11(21)7-8-25-16)5-6-13(15)14-3-1-2-4-17(14)28-19(22,23)24;;/h1-6,10-11,16,25H,7-9H2,(H,26,27);2*1H/t11-,16-;;/m1../s1
InChIKeyLEJFXFVHQUNDAM-DIJRCLTCSA-N
XLogP5.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.28
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride with MolForge

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Related Compounds

trans-(1R,3R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-fluorocyclohexane-1-carboxamide;hydrochloride
CID 158244045
(4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide
CID 146649079
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 130292250
1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide
CID 135389535
tert-butyl (2R)-2-[[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 130292493
4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 114422692
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide
CID 130293163
[2-[2-[[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]carbamoyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamic acid
CID 135389516
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-hydroxy-3-methylsulfanylpropyl)piperidine-2-carboxamide
CID 137454143
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide
CID 130292248
N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide
CID 64563962
(2R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-[3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]propanoyl]piperidine-2-carboxamide
CID 162611326

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride?
The IUPAC name of (2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride (CID 157218619) is (2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride.
What is the SMILES notation for (2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride?
The canonical SMILES for (2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride is Cl.O=C(Nc1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1)[C@H]1C[C@H](F)CCN1.[H][H].
What is the InChIKey of (2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride?
The InChIKey is LEJFXFVHQUNDAM-DIJRCLTCSA-N. The full InChI is InChI=1S/C19H17ClF4N2O2.ClH.H2/c20-15-10-12(26-18(27)16-9-11(21)7-8-25-16)5-6-13(15)14-3-1-2-4-17(14)28-19(22,23)24;;/h1-6,10-11,16,25H,7-9H2,(H,26,27);2*1H/t11-,16-;;/m1../s1.
What are the key properties of (2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride?
(2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride has a molecular weight of 455.28 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride is sourced from PubChem (CID 157218619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).