4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

C23H20F3N3O3 — CID 118195245

IUPAC4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CC[C@@H](O)C2)c(-c2cccnc2)c1
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)32-19-6-4-17(5-7-19)28-22(31)15-3-8-21(29-11-9-18(30)14-29)20(12-15)16-2-1-10-27-13-16/h1-8,10,12-13,18,30H,9,11,14H2,(H,28,31)/t18-/m1/s1
InChIKeyRWJYPRAXTJOUET-GOSISDBHSA-N
MW443.43 g/mol
LogP4.47
Rot. Bonds5

About 4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 118195245) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID118195245
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CC[C@@H](O)C2)c(-c2cccnc2)c1
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)32-19-6-4-17(5-7-19)28-22(31)15-3-8-21(29-11-9-18(30)14-29)20(12-15)16-2-1-10-27-13-16/h1-8,10,12-13,18,30H,9,11,14H2,(H,28,31)/t18-/m1/s1
InChIKeyRWJYPRAXTJOUET-GOSISDBHSA-N
XLogP4.47
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 118195245) is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CC[C@@H](O)C2)c(-c2cccnc2)c1.
What is the InChIKey of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is RWJYPRAXTJOUET-GOSISDBHSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c24-23(25,26)32-19-6-4-17(5-7-19)28-22(31)15-3-8-21(29-11-9-18(30)14-29)20(12-15)16-2-1-10-27-13-16/h1-8,10,12-13,18,30H,9,11,14H2,(H,28,31)/t18-/m1/s1.
What are the key properties of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 443.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 118195245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).