4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide

C23H25ClN4O5 — CID 24514091

IUPAC4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide
SMILESCC1(C)NC(=O)N(CCCC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)C1=O
InChIInChI=1S/C23H25ClN4O5/c1-23(2)21(31)28(22(32)25-23)13-3-4-19(29)26-27-20(30)16-7-5-15(6-8-16)14-33-18-11-9-17(24)10-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,25,32)(H,26,29)(H,27,30)
InChIKeyKMOFDWVGUKSVEU-UHFFFAOYSA-N
MW472.93 g/mol
LogP2.79
Rot. Bonds8

About 4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide

4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide (PubChem CID 24514091) has the molecular formula C23H25ClN4O5 and a molecular weight of 472.93 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide
PubChem CID24514091
Molecular FormulaC23H25ClN4O5
Molecular Weight472.93 g/mol
Exact Mass472.15
IUPAC Name4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide
SMILESCC1(C)NC(=O)N(CCCC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)C1=O
InChIInChI=1S/C23H25ClN4O5/c1-23(2)21(31)28(22(32)25-23)13-3-4-19(29)26-27-20(30)16-7-5-15(6-8-16)14-33-18-11-9-17(24)10-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,25,32)(H,26,29)(H,27,30)
InChIKeyKMOFDWVGUKSVEU-UHFFFAOYSA-N
XLogP2.79
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide
CID 55786769
N-[2-(4-chlorophenoxy)ethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 47008586
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide
CID 46651058
4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide
CID 27259647
[2-(4-chloroanilino)-2-oxoethyl] 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703230
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide
CID 18111139
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide
CID 9273581

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide (CID 24514091) is 4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide is CC1(C)NC(=O)N(CCCC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)C1=O.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide?
The InChIKey is KMOFDWVGUKSVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O5/c1-23(2)21(31)28(22(32)25-23)13-3-4-19(29)26-27-20(30)16-7-5-15(6-8-16)14-33-18-11-9-17(24)10-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,25,32)(H,26,29)(H,27,30).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide?
4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide has a molecular weight of 472.93 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide is sourced from PubChem (CID 24514091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).