N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C23H24ClF3N4O2 — CID 55358543

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C23H24ClF3N4O2/c1-29-7-9-30(10-8-29)20-6-5-17(24)13-19(20)28-22(33)15-11-21(32)31(14-15)18-4-2-3-16(12-18)23(25,26)27/h2-6,12-13,15H,7-11,14H2,1H3,(H,28,33)
InChIKeyJCMCWFVHSNXDFL-UHFFFAOYSA-N
MW480.92 g/mol
LogP4.10
Rot. Bonds4

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55358543) has the molecular formula C23H24ClF3N4O2 and a molecular weight of 480.92 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID55358543
Molecular FormulaC23H24ClF3N4O2
Molecular Weight480.92 g/mol
Exact Mass480.15
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C23H24ClF3N4O2/c1-29-7-9-30(10-8-29)20-6-5-17(24)13-19(20)28-22(33)15-11-21(32)31(14-15)18-4-2-3-16(12-18)23(25,26)27/h2-6,12-13,15H,7-11,14H2,1H3,(H,28,33)
InChIKeyJCMCWFVHSNXDFL-UHFFFAOYSA-N
XLogP4.10
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30929926
(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9004872
1-(3-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55582549
N-(3-chloro-4-methylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188658
N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46806850
N-(3,4-difluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188669
N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46553483
(3R)-1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1103942
N-[(4-chlorophenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188634
(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260278
(3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 1102170
(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 55358543) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CN1CCN(c2ccc(Cl)cc2NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is JCMCWFVHSNXDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N4O2/c1-29-7-9-30(10-8-29)20-6-5-17(24)13-19(20)28-22(33)15-11-21(32)31(14-15)18-4-2-3-16(12-18)23(25,26)27/h2-6,12-13,15H,7-11,14H2,1H3,(H,28,33).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 480.92 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55358543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).