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

C27H25ClN4O5 — CID 155513825

IUPAC4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
SMILESO=C(CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1)NCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C27H25ClN4O5/c28-21-10-12-22(13-11-21)32-26(35)23(31(27(32)36)17-19-4-2-1-3-5-19)14-15-24(33)29-16-18-6-8-20(9-7-18)25(34)30-37/h1-13,23,37H,14-17H2,(H,29,33)(H,30,34)
InChIKeyJZNSYBOURDMUSF-UHFFFAOYSA-N
MW520.97 g/mol
LogP3.89
Rot. Bonds9

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

4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (PubChem CID 155513825) has the molecular formula C27H25ClN4O5 and a molecular weight of 520.97 g/mol. Its IUPAC name is 4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
PubChem CID155513825
Molecular FormulaC27H25ClN4O5
Molecular Weight520.97 g/mol
Exact Mass520.15
IUPAC Name4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
SMILESO=C(CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1)NCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C27H25ClN4O5/c28-21-10-12-22(13-11-21)32-26(35)23(31(27(32)36)17-19-4-2-1-3-5-19)14-15-24(33)29-16-18-6-8-20(9-7-18)25(34)30-37/h1-13,23,37H,14-17H2,(H,29,33)(H,30,34)
InChIKeyJZNSYBOURDMUSF-UHFFFAOYSA-N
XLogP3.89
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.97
LogP ≤ 53.89
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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Related Compounds

1-(4-chlorophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 24788696
N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]-3-methylbenzamide
CID 168293603
4-Chloro-N-(4-chlorobenzoyl)-N-(2-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decan-8-yl)ethyl)benzamide, 82
CID 25105716
1-(2-Chlorophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]urea
CID 24788375
1-(3-Chlorophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]urea
CID 24788438
1-(4-Chlorophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]urea
CID 24788439
cis-1-(4-chlorophenyl)-3-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentyl)urea
CID 44432542
1-(2-Chloro-phenyl)-3-[2-(2,6-dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1h-isoindol-5-ylmethyl]-urea
CID 44538827
1-(3-chloro-phenyl)-3-[2-(2,6-dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-ylmethyl]-urea
CID 44539421
N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide
CID 46939321
N-[2-[1-(4-chlorophenyl)-4-oxidanylidene-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid
CID 46939409
4-[[1-(4-chlorophenyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide
CID 57524021

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (CID 155513825) is 4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is O=C(CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1)NCc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
The InChIKey is JZNSYBOURDMUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O5/c28-21-10-12-22(13-11-21)32-26(35)23(31(27(32)36)17-19-4-2-1-3-5-19)14-15-24(33)29-16-18-6-8-20(9-7-18)25(34)30-37/h1-13,23,37H,14-17H2,(H,29,33)(H,30,34).
What are the key properties of 4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide has a molecular weight of 520.97 g/mol, XLogP of 3.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155513825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).