4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide

C24H25F3N4O3 — CID 55787869

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H25F3N4O3/c1-29-10-12-30(13-11-29)18-6-7-20(19(14-18)24(25,26)27)28-23(34)17-4-2-16(3-5-17)15-31-21(32)8-9-22(31)33/h2-7,14H,8-13,15H2,1H3,(H,28,34)
InChIKeyHQXZPHQYKADXAK-UHFFFAOYSA-N
MW474.48 g/mol
LogP3.36
Rot. Bonds5

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 55787869) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
PubChem CID55787869
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H25F3N4O3/c1-29-10-12-30(13-11-29)18-6-7-20(19(14-18)24(25,26)27)28-23(34)17-4-2-16(3-5-17)15-31-21(32)8-9-22(31)33/h2-7,14H,8-13,15H2,1H3,(H,28,34)
InChIKeyHQXZPHQYKADXAK-UHFFFAOYSA-N
XLogP3.36
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55788437
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275
N-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698448
(2R)-N-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 51958687
2-chloro-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-5-methylsulfanylbenzamide
CID 55787776
5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55788209
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide
CID 55788373
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide
CID 55880920
5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 55788114
2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788020
N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 47086337
4-chloro-3-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 38956339

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide (CID 55787869) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide is CN1CCN(c2ccc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HQXZPHQYKADXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-29-10-12-30(13-11-29)18-6-7-20(19(14-18)24(25,26)27)28-23(34)17-4-2-16(3-5-17)15-31-21(32)8-9-22(31)33/h2-7,14H,8-13,15H2,1H3,(H,28,34).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 474.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55787869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).