N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C20H18BrN3O3 — CID 71883616

IUPACN-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(NC1(c2ccc(Br)cc2)CC1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C20H18BrN3O3/c21-16-7-5-15(6-8-16)20(9-10-20)23-18(26)14-3-1-13(2-4-14)12-24-17(25)11-22-19(24)27/h1-8H,9-12H2,(H,22,27)(H,23,26)
InChIKeyPCLRVZMKPXWFOL-UHFFFAOYSA-N
MW428.29 g/mol
LogP2.92
Rot. Bonds5

About N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 71883616) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID71883616
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC NameN-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(NC1(c2ccc(Br)cc2)CC1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C20H18BrN3O3/c21-16-7-5-15(6-8-16)20(9-10-20)23-18(26)14-3-1-13(2-4-14)12-24-17(25)11-22-19(24)27/h1-8H,9-12H2,(H,22,27)(H,23,26)
InChIKeyPCLRVZMKPXWFOL-UHFFFAOYSA-N
XLogP2.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 71883616) is N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is O=C(NC1(c2ccc(Br)cc2)CC1)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is PCLRVZMKPXWFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c21-16-7-5-15(6-8-16)20(9-10-20)23-18(26)14-3-1-13(2-4-14)12-24-17(25)11-22-19(24)27/h1-8H,9-12H2,(H,22,27)(H,23,26).
What are the key properties of N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 428.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 71883616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).