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

C16H11F2N3O3 — CID 110715466

IUPACN-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide
SMILESO=C1NC(=O)C(c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)N1
InChIInChI=1S/C16H11F2N3O3/c17-11-5-4-9(7-12(11)18)14(22)19-10-3-1-2-8(6-10)13-15(23)21-16(24)20-13/h1-7,13H,(H,19,22)(H2,20,21,23,24)
InChIKeyOGVYBKAQLNGBRK-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.10
Rot. Bonds3

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

N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide (PubChem CID 110715466) has the molecular formula C16H11F2N3O3 and a molecular weight of 331.28 g/mol. Its IUPAC name is N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide
PubChem CID110715466
Molecular FormulaC16H11F2N3O3
Molecular Weight331.28 g/mol
Exact Mass331.08
IUPAC NameN-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide
SMILESO=C1NC(=O)C(c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)N1
InChIInChI=1S/C16H11F2N3O3/c17-11-5-4-9(7-12(11)18)14(22)19-10-3-1-2-8(6-10)13-15(23)21-16(24)20-13/h1-7,13H,(H,19,22)(H2,20,21,23,24)
InChIKeyOGVYBKAQLNGBRK-UHFFFAOYSA-N
XLogP2.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide
CID 110715446
1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea
CID 110747610
3,4-difluoro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 110874016
(4S)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7714723
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
CID 114293187
N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide
CID 110715272
N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 110715491
N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide
CID 46578980
3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide
CID 82252406
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide
CID 112988151

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide (CID 110715466) is N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide is O=C1NC(=O)C(c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)N1.
What is the InChIKey of N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide?
The InChIKey is OGVYBKAQLNGBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O3/c17-11-5-4-9(7-12(11)18)14(22)19-10-3-1-2-8(6-10)13-15(23)21-16(24)20-13/h1-7,13H,(H,19,22)(H2,20,21,23,24).
What are the key properties of N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide?
N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide has a molecular weight of 331.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 110715466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).