N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide

C20H17F3N4O4 — CID 55732950

IUPACN-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H17F3N4O4/c21-20(22,23)13-3-1-2-12(10-13)18(30)26-15-6-4-14(5-7-15)25-16(28)8-9-27-17(29)11-24-19(27)31/h1-7,10H,8-9,11H2,(H,24,31)(H,25,28)(H,26,30)
InChIKeyUQKITJUXLHMPRS-UHFFFAOYSA-N
MW434.37 g/mol
LogP2.84
Rot. Bonds6

About N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide

N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 55732950) has the molecular formula C20H17F3N4O4 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID55732950
Molecular FormulaC20H17F3N4O4
Molecular Weight434.37 g/mol
Exact Mass434.12
IUPAC NameN-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H17F3N4O4/c21-20(22,23)13-3-1-2-12(10-13)18(30)26-15-6-4-14(5-7-15)25-16(28)8-9-27-17(29)11-24-19(27)31/h1-7,10H,8-9,11H2,(H,24,31)(H,25,28)(H,26,30)
InChIKeyUQKITJUXLHMPRS-UHFFFAOYSA-N
XLogP2.84
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55732736
4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid
CID 55924141
N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide
CID 18570780
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34199236
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 42765964
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775980
N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide
CID 7384427
3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide
CID 55732487
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977
N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide
CID 3751377

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide (CID 55732950) is N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide is O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UQKITJUXLHMPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4/c21-20(22,23)13-3-1-2-12(10-13)18(30)26-15-6-4-14(5-7-15)25-16(28)8-9-27-17(29)11-24-19(27)31/h1-7,10H,8-9,11H2,(H,24,31)(H,25,28)(H,26,30).
What are the key properties of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 434.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 55732950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).