N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide

C17H13ClN4O3 — CID 15155815

IUPACN-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide
SMILESO=C(NN1CC(=O)N(/N=C/c2ccccc2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN4O3/c18-14-8-6-13(7-9-14)16(24)20-21-11-15(23)22(17(21)25)19-10-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,24)/b19-10+
InChIKeyTUZYKINMVOTGBB-VXLYETTFSA-N
MW356.77 g/mol
LogP2.28
Rot. Bonds4

About N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide

N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide (PubChem CID 15155815) has the molecular formula C17H13ClN4O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide
PubChem CID15155815
Molecular FormulaC17H13ClN4O3
Molecular Weight356.77 g/mol
Exact Mass356.07
IUPAC NameN-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide
SMILESO=C(NN1CC(=O)N(/N=C/c2ccccc2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN4O3/c18-14-8-6-13(7-9-14)16(24)20-21-11-15(23)22(17(21)25)19-10-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,24)/b19-10+
InChIKeyTUZYKINMVOTGBB-VXLYETTFSA-N
XLogP2.28
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide?
The IUPAC name of N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide (CID 15155815) is N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide?
The canonical SMILES for N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide is O=C(NN1CC(=O)N(/N=C/c2ccccc2)C1=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide?
The InChIKey is TUZYKINMVOTGBB-VXLYETTFSA-N. The full InChI is InChI=1S/C17H13ClN4O3/c18-14-8-6-13(7-9-14)16(24)20-21-11-15(23)22(17(21)25)19-10-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,24)/b19-10+.
What are the key properties of N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide?
N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide has a molecular weight of 356.77 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide is sourced from PubChem (CID 15155815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).