2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide

C20H19ClF3N3O3 — CID 135389521

IUPAC2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide
SMILESNC(=O)N1CCCCC1(C(N)=O)c1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C20H19ClF3N3O3/c21-15-11-12(19(17(25)28)9-3-4-10-27(19)18(26)29)7-8-13(15)14-5-1-2-6-16(14)30-20(22,23)24/h1-2,5-8,11H,3-4,9-10H2,(H2,25,28)(H2,26,29)
InChIKeyLERNFMZQDGJSDO-UHFFFAOYSA-N
MW441.84 g/mol
LogP4.15
Rot. Bonds4

About 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide

2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide (PubChem CID 135389521) has the molecular formula C20H19ClF3N3O3 and a molecular weight of 441.84 g/mol. Its IUPAC name is 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide
PubChem CID135389521
Molecular FormulaC20H19ClF3N3O3
Molecular Weight441.84 g/mol
Exact Mass441.11
IUPAC Name2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide
SMILESNC(=O)N1CCCCC1(C(N)=O)c1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C20H19ClF3N3O3/c21-15-11-12(19(17(25)28)9-3-4-10-27(19)18(26)29)7-8-13(15)14-5-1-2-6-16(14)30-20(22,23)24/h1-2,5-8,11H,3-4,9-10H2,(H2,25,28)(H2,26,29)
InChIKeyLERNFMZQDGJSDO-UHFFFAOYSA-N
XLogP4.15
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 130292250
2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118835656
5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 103694050
tert-butyl (2R)-2-[[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 130292493
1-[2-[[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]diazenyl]piperidin-1-yl]-2,2-difluoroethanone
CID 137457483
1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide
CID 135389535
trans-(1R,3R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-fluorocyclohexane-1-carboxamide;hydrochloride
CID 158244045
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide
CID 130293163
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
[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

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide?
The IUPAC name of 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide (CID 135389521) is 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide.
What is the SMILES notation for 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide?
The canonical SMILES for 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide is NC(=O)N1CCCCC1(C(N)=O)c1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide?
The InChIKey is LERNFMZQDGJSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N3O3/c21-15-11-12(19(17(25)28)9-3-4-10-27(19)18(26)29)7-8-13(15)14-5-1-2-6-16(14)30-20(22,23)24/h1-2,5-8,11H,3-4,9-10H2,(H2,25,28)(H2,26,29).
What are the key properties of 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide?
2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide has a molecular weight of 441.84 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide is sourced from PubChem (CID 135389521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).