N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide

C16H20BrN3O3 — CID 17458434

IUPACN-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCCC(NC(=O)CCCN1C(=O)CNC1=O)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrN3O3/c1-2-13(11-5-7-12(17)8-6-11)19-14(21)4-3-9-20-15(22)10-18-16(20)23/h5-8,13H,2-4,9-10H2,1H3,(H,18,23)(H,19,21)
InChIKeyUDHLWEGYGZFWCN-UHFFFAOYSA-N
MW382.26 g/mol
LogP2.35
Rot. Bonds7

About N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide

N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 17458434) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID17458434
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC NameN-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCCC(NC(=O)CCCN1C(=O)CNC1=O)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrN3O3/c1-2-13(11-5-7-12(17)8-6-11)19-14(21)4-3-9-20-15(22)10-18-16(20)23/h5-8,13H,2-4,9-10H2,1H3,(H,18,23)(H,19,21)
InChIKeyUDHLWEGYGZFWCN-UHFFFAOYSA-N
XLogP2.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
CID 92685405
(2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid
CID 119369325
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-bromophenyl)propyl]propanamide
CID 46418106
N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 18277506
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51709582
N-(4-bromophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 66488904
N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide
CID 2526890
N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46469513
N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289
N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 84993401

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide (CID 17458434) is N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide is CCC(NC(=O)CCCN1C(=O)CNC1=O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is UDHLWEGYGZFWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-2-13(11-5-7-12(17)8-6-11)19-14(21)4-3-9-20-15(22)10-18-16(20)23/h5-8,13H,2-4,9-10H2,1H3,(H,18,23)(H,19,21).
What are the key properties of N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 382.26 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 17458434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).