N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide

C25H17F4N3O4 — CID 55765550

IUPACN-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C25H17F4N3O4/c26-19-4-2-1-3-17(19)24(36)30-15-7-10-20(18(13-15)25(27,28)29)31-23(35)14-5-8-16(9-6-14)32-21(33)11-12-22(32)34/h1-10,13H,11-12H2,(H,30,36)(H,31,35)
InChIKeyVPUDVHKWZXWSGX-UHFFFAOYSA-N
MW499.42 g/mol
LogP5.00
Rot. Bonds5

About N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide

N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide (PubChem CID 55765550) has the molecular formula C25H17F4N3O4 and a molecular weight of 499.42 g/mol. Its IUPAC name is N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
PubChem CID55765550
Molecular FormulaC25H17F4N3O4
Molecular Weight499.42 g/mol
Exact Mass499.12
IUPAC NameN-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C25H17F4N3O4/c26-19-4-2-1-3-17(19)24(36)30-15-7-10-20(18(13-15)25(27,28)29)31-23(35)14-5-8-16(9-6-14)32-21(33)11-12-22(32)34/h1-10,13H,11-12H2,(H,30,36)(H,31,35)
InChIKeyVPUDVHKWZXWSGX-UHFFFAOYSA-N
XLogP5.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.42
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765236
N-[4-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765682
2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765716
N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765297
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55765621
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 112831169
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765741
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide
CID 18552976
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 52638821
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55765590
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide (CID 55765550) is N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide is O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The InChIKey is VPUDVHKWZXWSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F4N3O4/c26-19-4-2-1-3-17(19)24(36)30-15-7-10-20(18(13-15)25(27,28)29)31-23(35)14-5-8-16(9-6-14)32-21(33)11-12-22(32)34/h1-10,13H,11-12H2,(H,30,36)(H,31,35).
What are the key properties of N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide has a molecular weight of 499.42 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 55765550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).