5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide

C21H22BrN3O3 — CID 60513548

IUPAC5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide
SMILESCC1(c2cccc(NC(=O)CCCCc3ccc(Br)cc3)c2)NC(=O)NC1=O
InChIInChI=1S/C21H22BrN3O3/c1-21(19(27)24-20(28)25-21)15-6-4-7-17(13-15)23-18(26)8-3-2-5-14-9-11-16(22)12-10-14/h4,6-7,9-13H,2-3,5,8H2,1H3,(H,23,26)(H2,24,25,27,28)
InChIKeyZLEZHFRREHYFIW-UHFFFAOYSA-N
MW444.33 g/mol
LogP3.86
Rot. Bonds7

About 5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide

5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide (PubChem CID 60513548) has the molecular formula C21H22BrN3O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide
PubChem CID60513548
Molecular FormulaC21H22BrN3O3
Molecular Weight444.33 g/mol
Exact Mass443.08
IUPAC Name5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide
SMILESCC1(c2cccc(NC(=O)CCCCc3ccc(Br)cc3)c2)NC(=O)NC1=O
InChIInChI=1S/C21H22BrN3O3/c1-21(19(27)24-20(28)25-21)15-6-4-7-17(13-15)23-18(26)8-3-2-5-14-9-11-16(22)12-10-14/h4,6-7,9-13H,2-3,5,8H2,1H3,(H,23,26)(H2,24,25,27,28)
InChIKeyZLEZHFRREHYFIW-UHFFFAOYSA-N
XLogP3.86
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832
3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949276
3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide
CID 55961363
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949351
5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949406
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 51949462
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 129368217
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
CID 166191110
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 51949265

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide (CID 60513548) is 5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide is CC1(c2cccc(NC(=O)CCCCc3ccc(Br)cc3)c2)NC(=O)NC1=O.
What is the InChIKey of 5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide?
The InChIKey is ZLEZHFRREHYFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O3/c1-21(19(27)24-20(28)25-21)15-6-4-7-17(13-15)23-18(26)8-3-2-5-14-9-11-16(22)12-10-14/h4,6-7,9-13H,2-3,5,8H2,1H3,(H,23,26)(H2,24,25,27,28).
What are the key properties of 5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide?
5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide has a molecular weight of 444.33 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide is sourced from PubChem (CID 60513548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).