4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide

C28H27ClN4O5 — CID 155515806

IUPAC4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
SMILESCc1ccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)C2CCC(=O)NCc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C28H27ClN4O5/c1-18-2-4-20(5-3-18)17-32-24(27(36)33(28(32)37)23-12-10-22(29)11-13-23)14-15-25(34)30-16-19-6-8-21(9-7-19)26(35)31-38/h2-13,24,38H,14-17H2,1H3,(H,30,34)(H,31,35)
InChIKeyHPKLSEYSFCWTJT-UHFFFAOYSA-N
MW535.00 g/mol
LogP4.20
Rot. Bonds9

About 4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide

4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (PubChem CID 155515806) has the molecular formula C28H27ClN4O5 and a molecular weight of 535.00 g/mol. Its IUPAC name is 4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
PubChem CID155515806
Molecular FormulaC28H27ClN4O5
Molecular Weight535.00 g/mol
Exact Mass534.17
IUPAC Name4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
SMILESCc1ccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)C2CCC(=O)NCc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C28H27ClN4O5/c1-18-2-4-20(5-3-18)17-32-24(27(36)33(28(32)37)23-12-10-22(29)11-13-23)14-15-25(34)30-16-19-6-8-21(9-7-19)26(35)31-38/h2-13,24,38H,14-17H2,1H3,(H,30,34)(H,31,35)
InChIKeyHPKLSEYSFCWTJT-UHFFFAOYSA-N
XLogP4.20
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.00
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (CID 155515806) is 4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is Cc1ccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)C2CCC(=O)NCc2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of 4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
The InChIKey is HPKLSEYSFCWTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O5/c1-18-2-4-20(5-3-18)17-32-24(27(36)33(28(32)37)23-12-10-22(29)11-13-23)14-15-25(34)30-16-19-6-8-21(9-7-19)26(35)31-38/h2-13,24,38H,14-17H2,1H3,(H,30,34)(H,31,35).
What are the key properties of 4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide has a molecular weight of 535.00 g/mol, XLogP of 4.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155515806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).