3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide

C21H20BrClN4O5 — CID 175383542

IUPAC3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide
SMILESO=C(CNC(=O)CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Br)cc1)NO
InChIInChI=1S/C21H20BrClN4O5/c22-14-3-1-13(2-4-14)12-26-17(9-10-18(28)24-11-19(29)25-32)20(30)27(21(26)31)16-7-5-15(23)6-8-16/h1-8,17,32H,9-12H2,(H,24,28)(H,25,29)
InChIKeyHIJDIOGEMPUSMI-UHFFFAOYSA-N
MW523.77 g/mol
LogP2.84
Rot. Bonds8

About 3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide

3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide (PubChem CID 175383542) has the molecular formula C21H20BrClN4O5 and a molecular weight of 523.77 g/mol. Its IUPAC name is 3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide
PubChem CID175383542
Molecular FormulaC21H20BrClN4O5
Molecular Weight523.77 g/mol
Exact Mass522.03
IUPAC Name3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide
SMILESO=C(CNC(=O)CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Br)cc1)NO
InChIInChI=1S/C21H20BrClN4O5/c22-14-3-1-13(2-4-14)12-26-17(9-10-18(28)24-11-19(29)25-32)20(30)27(21(26)31)16-7-5-15(23)6-8-16/h1-8,17,32H,9-12H2,(H,24,28)(H,25,29)
InChIKeyHIJDIOGEMPUSMI-UHFFFAOYSA-N
XLogP2.84
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.77
LogP ≤ 52.84
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-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide (CID 175383542) is 3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide is O=C(CNC(=O)CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Br)cc1)NO.
What is the InChIKey of 3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide?
The InChIKey is HIJDIOGEMPUSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrClN4O5/c22-14-3-1-13(2-4-14)12-26-17(9-10-18(28)24-11-19(29)25-32)20(30)27(21(26)31)16-7-5-15(23)6-8-16/h1-8,17,32H,9-12H2,(H,24,28)(H,25,29).
What are the key properties of 3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide?
3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide has a molecular weight of 523.77 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(hydroxyamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 175383542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).