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

C27H25ClN4O5 — CID 155518106

IUPAC4-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
SMILESCc1ccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)C2CCC(=O)Nc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C27H25ClN4O5/c1-17-2-4-18(5-3-17)16-31-23(26(35)32(27(31)36)22-12-8-20(28)9-13-22)14-15-24(33)29-21-10-6-19(7-11-21)25(34)30-37/h2-13,23,37H,14-16H2,1H3,(H,29,33)(H,30,34)
InChIKeyRSMGBZPONOKBDP-UHFFFAOYSA-N
MW520.97 g/mol
LogP4.52
Rot. Bonds8

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

4-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (PubChem CID 155518106) has the molecular formula C27H25ClN4O5 and a molecular weight of 520.97 g/mol. Its IUPAC name is 4-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
PubChem CID155518106
Molecular FormulaC27H25ClN4O5
Molecular Weight520.97 g/mol
Exact Mass520.15
IUPAC Name4-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
SMILESCc1ccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)C2CCC(=O)Nc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C27H25ClN4O5/c1-17-2-4-18(5-3-17)16-31-23(26(35)32(27(31)36)22-12-8-20(28)9-13-22)14-15-24(33)29-21-10-6-19(7-11-21)25(34)30-37/h2-13,23,37H,14-16H2,1H3,(H,29,33)(H,30,34)
InChIKeyRSMGBZPONOKBDP-UHFFFAOYSA-N
XLogP4.52
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.97
LogP ≤ 54.52
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]-N-hydroxybenzamide?
The IUPAC name of 4-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (CID 155518106) is 4-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The canonical SMILES for 4-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide is Cc1ccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)C2CCC(=O)Nc2ccc(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]-N-hydroxybenzamide?
The InChIKey is RSMGBZPONOKBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O5/c1-17-2-4-18(5-3-17)16-31-23(26(35)32(27(31)36)22-12-8-20(28)9-13-22)14-15-24(33)29-21-10-6-19(7-11-21)25(34)30-37/h2-13,23,37H,14-16H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 4-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
4-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide has a molecular weight of 520.97 g/mol, XLogP of 4.52, 8 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]-N-hydroxybenzamide is sourced from PubChem (CID 155518106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).