N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide

C23H25ClF3N3O — CID 44548189

IUPACN-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H25ClF3N3O/c24-18-3-5-19(6-4-18)28-22(31)16-13-17(23(25,26)27)15-21(14-16)30-11-7-20(8-12-30)29-9-1-2-10-29/h3-6,13-15,20H,1-2,7-12H2,(H,28,31)
InChIKeyVIDKVENUCXDESC-UHFFFAOYSA-N
MW451.92 g/mol
LogP5.68
Rot. Bonds4

About N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide

N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide (PubChem CID 44548189) has the molecular formula C23H25ClF3N3O and a molecular weight of 451.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
PubChem CID44548189
Molecular FormulaC23H25ClF3N3O
Molecular Weight451.92 g/mol
Exact Mass451.16
IUPAC NameN-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H25ClF3N3O/c24-18-3-5-19(6-4-18)28-22(31)16-13-17(23(25,26)27)15-21(14-16)30-11-7-20(8-12-30)29-9-1-2-10-29/h3-6,13-15,20H,1-2,7-12H2,(H,28,31)
InChIKeyVIDKVENUCXDESC-UHFFFAOYSA-N
XLogP5.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.92
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide (CID 44548189) is N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide is O=C(Nc1ccc(Cl)cc1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is VIDKVENUCXDESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF3N3O/c24-18-3-5-19(6-4-18)28-22(31)16-13-17(23(25,26)27)15-21(14-16)30-11-7-20(8-12-30)29-9-1-2-10-29/h3-6,13-15,20H,1-2,7-12H2,(H,28,31).
What are the key properties of N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 451.92 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 44548189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).