N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide

C24H19ClN4O3 — CID 71515235

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN4O3/c25-20-13-11-17(12-14-20)15-26-28-21(30)16-29-23(32)27-22(31)24(29,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H,16H2,(H,28,30)(H,27,31,32)/b26-15+
InChIKeyGRFUPBBPDKJGBF-CVKSISIWSA-N
MW446.89 g/mol
LogP3.29
Rot. Bonds6

About N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide (PubChem CID 71515235) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide
PubChem CID71515235
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN4O3/c25-20-13-11-17(12-14-20)15-26-28-21(30)16-29-23(32)27-22(31)24(29,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H,16H2,(H,28,30)(H,27,31,32)/b26-15+
InChIKeyGRFUPBBPDKJGBF-CVKSISIWSA-N
XLogP3.29
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide
CID 126225088
N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide
CID 17080178
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10712561
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
CID 6877546
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
2-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 689343
N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882819
N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 749023
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126217149
N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 3985918

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide (CID 71515235) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide is O=C(CN1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide?
The InChIKey is GRFUPBBPDKJGBF-CVKSISIWSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c25-20-13-11-17(12-14-20)15-26-28-21(30)16-29-23(32)27-22(31)24(29,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H,16H2,(H,28,30)(H,27,31,32)/b26-15+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide has a molecular weight of 446.89 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 71515235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).