2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide

C25H31F3N4O — CID 59401839

IUPAC2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)c3ccccc3N(C)C)c(C(F)(F)F)c2)C1
InChIInChI=1S/C25H31F3N4O/c1-17-7-6-13-32(17)19-12-14-31(16-19)18-10-11-22(21(15-18)25(26,27)28)29-24(33)20-8-4-5-9-23(20)30(2)3/h4-5,8-11,15,17,19H,6-7,12-14,16H2,1-3H3,(H,29,33)
InChIKeyJEEWKWNZQQGGOA-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.09
Rot. Bonds5

About 2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide

2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 59401839) has the molecular formula C25H31F3N4O and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
PubChem CID59401839
Molecular FormulaC25H31F3N4O
Molecular Weight460.54 g/mol
Exact Mass460.24
IUPAC Name2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)c3ccccc3N(C)C)c(C(F)(F)F)c2)C1
InChIInChI=1S/C25H31F3N4O/c1-17-7-6-13-32(17)19-12-14-31(16-19)18-10-11-22(21(15-18)25(26,27)28)29-24(33)20-8-4-5-9-23(20)30(2)3/h4-5,8-11,15,17,19H,6-7,12-14,16H2,1-3H3,(H,29,33)
InChIKeyJEEWKWNZQQGGOA-UHFFFAOYSA-N
XLogP5.09
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide (CID 59401839) is 2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide is CC1CCCN1C1CCN(c2ccc(NC(=O)c3ccccc3N(C)C)c(C(F)(F)F)c2)C1.
What is the InChIKey of 2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is JEEWKWNZQQGGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N4O/c1-17-7-6-13-32(17)19-12-14-31(16-19)18-10-11-22(21(15-18)25(26,27)28)29-24(33)20-8-4-5-9-23(20)30(2)3/h4-5,8-11,15,17,19H,6-7,12-14,16H2,1-3H3,(H,29,33).
What are the key properties of 2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide?
2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 460.54 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 59401839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).