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

C27H25ClN4O5 — CID 155560517

IUPAC3-[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)Nc2cccc(C(=O)NO)c2)cc1
InChIInChI=1S/C27H25ClN4O5/c1-17-5-7-18(8-6-17)16-31-23(26(35)32(27(31)36)22-11-9-20(28)10-12-22)13-14-24(33)29-21-4-2-3-19(15-21)25(34)30-37/h2-12,15,23,37H,13-14,16H2,1H3,(H,29,33)(H,30,34)
InChIKeySAWSYMPWSPJIJS-UHFFFAOYSA-N
MW520.97 g/mol
LogP4.52
Rot. Bonds8

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

3-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (PubChem CID 155560517) has the molecular formula C27H25ClN4O5 and a molecular weight of 520.97 g/mol. Its IUPAC name is 3-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
PubChem CID155560517
Molecular FormulaC27H25ClN4O5
Molecular Weight520.97 g/mol
Exact Mass520.15
IUPAC Name3-[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)Nc2cccc(C(=O)NO)c2)cc1
InChIInChI=1S/C27H25ClN4O5/c1-17-5-7-18(8-6-17)16-31-23(26(35)32(27(31)36)22-11-9-20(28)10-12-22)13-14-24(33)29-21-4-2-3-19(15-21)25(34)30-37/h2-12,15,23,37H,13-14,16H2,1H3,(H,29,33)(H,30,34)
InChIKeySAWSYMPWSPJIJS-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 3-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The IUPAC name of 3-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (CID 155560517) is 3-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.
What is the SMILES notation for 3-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The canonical SMILES for 3-[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)Nc2cccc(C(=O)NO)c2)cc1.
What is the InChIKey of 3-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The InChIKey is SAWSYMPWSPJIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O5/c1-17-5-7-18(8-6-17)16-31-23(26(35)32(27(31)36)22-11-9-20(28)10-12-22)13-14-24(33)29-21-4-2-3-19(15-21)25(34)30-37/h2-12,15,23,37H,13-14,16H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 3-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
3-[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 3-[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide is sourced from PubChem (CID 155560517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).