N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide

C23H16ClN3O4 — CID 127042646

IUPACN-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)cc1
InChIInChI=1S/C23H16ClN3O4/c24-16-5-7-17(8-6-16)25-21(29)15-3-9-18(10-4-15)27-22(30)20(26-23(27)31)13-14-1-11-19(28)12-2-14/h1-13,28H,(H,25,29)(H,26,31)/b20-13-
InChIKeyKTNJMCZDPWQTBP-MOSHPQCFSA-N
MW433.85 g/mol
LogP4.40
Rot. Bonds4

About N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide

N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide (PubChem CID 127042646) has the molecular formula C23H16ClN3O4 and a molecular weight of 433.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide
PubChem CID127042646
Molecular FormulaC23H16ClN3O4
Molecular Weight433.85 g/mol
Exact Mass433.08
IUPAC NameN-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)cc1
InChIInChI=1S/C23H16ClN3O4/c24-16-5-7-17(8-6-16)25-21(29)15-3-9-18(10-4-15)27-22(30)20(26-23(27)31)13-14-1-11-19(28)12-2-14/h1-13,28H,(H,25,29)(H,26,31)/b20-13-
InChIKeyKTNJMCZDPWQTBP-MOSHPQCFSA-N
XLogP4.40
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide (CID 127042646) is N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide?
The InChIKey is KTNJMCZDPWQTBP-MOSHPQCFSA-N. The full InChI is InChI=1S/C23H16ClN3O4/c24-16-5-7-17(8-6-16)25-21(29)15-3-9-18(10-4-15)27-22(30)20(26-23(27)31)13-14-1-11-19(28)12-2-14/h1-13,28H,(H,25,29)(H,26,31)/b20-13-.
What are the key properties of N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide?
N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide has a molecular weight of 433.85 g/mol, XLogP of 4.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide is sourced from PubChem (CID 127042646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).