N-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide

C25H23ClF3N3O2 — CID 156815414

IUPACN-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccccc2Cl)ccc1N1CCC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C25H23ClF3N3O2/c1-16(33)30-13-18-12-17(21-4-2-3-5-22(21)26)6-8-23(18)32-11-10-20(15-32)34-24-9-7-19(14-31-24)25(27,28)29/h2-9,12,14,20H,10-11,13,15H2,1H3,(H,30,33)
InChIKeyUOOBJJWOFFAHCL-UHFFFAOYSA-N
MW489.93 g/mol
LogP5.71
Rot. Bonds6

About N-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide

N-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide (PubChem CID 156815414) has the molecular formula C25H23ClF3N3O2 and a molecular weight of 489.93 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide
PubChem CID156815414
Molecular FormulaC25H23ClF3N3O2
Molecular Weight489.93 g/mol
Exact Mass489.14
IUPAC NameN-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccccc2Cl)ccc1N1CCC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C25H23ClF3N3O2/c1-16(33)30-13-18-12-17(21-4-2-3-5-22(21)26)6-8-23(18)32-11-10-20(15-32)34-24-9-7-19(14-31-24)25(27,28)29/h2-9,12,14,20H,10-11,13,15H2,1H3,(H,30,33)
InChIKeyUOOBJJWOFFAHCL-UHFFFAOYSA-N
XLogP5.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.93
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide (CID 156815414) is N-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide is CC(=O)NCc1cc(-c2ccccc2Cl)ccc1N1CCC(Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide?
The InChIKey is UOOBJJWOFFAHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N3O2/c1-16(33)30-13-18-12-17(21-4-2-3-5-22(21)26)6-8-23(18)32-11-10-20(15-32)34-24-9-7-19(14-31-24)25(27,28)29/h2-9,12,14,20H,10-11,13,15H2,1H3,(H,30,33).
What are the key properties of N-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide?
N-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide has a molecular weight of 489.93 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 156815414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).