N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide

C16H10F3N3O3 — CID 110715272

IUPACN-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide
SMILESO=C1NC(=O)C(c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)N1
InChIInChI=1S/C16H10F3N3O3/c17-10-6-5-9(11(18)12(10)19)14(23)20-8-3-1-7(2-4-8)13-15(24)22-16(25)21-13/h1-6,13H,(H,20,23)(H2,21,22,24,25)
InChIKeyBNKILGTZTMLTAO-UHFFFAOYSA-N
MW349.27 g/mol
LogP2.24
Rot. Bonds3

About N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide

N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide (PubChem CID 110715272) has the molecular formula C16H10F3N3O3 and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide
PubChem CID110715272
Molecular FormulaC16H10F3N3O3
Molecular Weight349.27 g/mol
Exact Mass349.07
IUPAC NameN-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide
SMILESO=C1NC(=O)C(c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)N1
InChIInChI=1S/C16H10F3N3O3/c17-10-6-5-9(11(18)12(10)19)14(23)20-8-3-1-7(2-4-8)13-15(24)22-16(25)21-13/h1-6,13H,(H,20,23)(H2,21,22,24,25)
InChIKeyBNKILGTZTMLTAO-UHFFFAOYSA-N
XLogP2.24
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea
CID 110747582
(4S)-N,4-bis(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 962637
N-[4-(4-acetamidoanilino)phenyl]-2,3,4-trifluorobenzamide
CID 112988382
2-(dimethylamino)-N-[4-[(4R)-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 141182507
N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide
CID 110715466
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980375
2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 110725048
(4S)-4-(4-bromophenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40606898
(4R)-4-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7110409
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]acetamide
CID 126834418
(4S)-4-(4-chlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1014349

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide (CID 110715272) is N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide is O=C1NC(=O)C(c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)N1.
What is the InChIKey of N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide?
The InChIKey is BNKILGTZTMLTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O3/c17-10-6-5-9(11(18)12(10)19)14(23)20-8-3-1-7(2-4-8)13-15(24)22-16(25)21-13/h1-6,13H,(H,20,23)(H2,21,22,24,25).
What are the key properties of N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide?
N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide has a molecular weight of 349.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 110715272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).