N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

C25H23F3N2O — CID 57090840

IUPACN-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H23F3N2O/c26-25(27,28)20-12-10-19(11-13-20)22-8-4-5-9-23(22)24(31)29-21-14-15-30(17-21)16-18-6-2-1-3-7-18/h1-13,21H,14-17H2,(H,29,31)
InChIKeyPRBLHTRTWOVNMH-UHFFFAOYSA-N
MW424.47 g/mol
LogP5.38
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 57090840) has the molecular formula C25H23F3N2O and a molecular weight of 424.47 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID57090840
Molecular FormulaC25H23F3N2O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H23F3N2O/c26-25(27,28)20-12-10-19(11-13-20)22-8-4-5-9-23(22)24(31)29-21-14-15-30(17-21)16-18-6-2-1-3-7-18/h1-13,21H,14-17H2,(H,29,31)
InChIKeyPRBLHTRTWOVNMH-UHFFFAOYSA-N
XLogP5.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.47
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 57090840) is N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is O=C(NC1CCN(Cc2ccccc2)C1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is PRBLHTRTWOVNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O/c26-25(27,28)20-12-10-19(11-13-20)22-8-4-5-9-23(22)24(31)29-21-14-15-30(17-21)16-18-6-2-1-3-7-18/h1-13,21H,14-17H2,(H,29,31).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 424.47 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 57090840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).