N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

C12H12BrN3O3 — CID 25465837

IUPACN-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H12BrN3O3/c13-7-2-1-3-8(6-7)14-10(17)5-4-9-11(18)16-12(19)15-9/h1-3,6,9H,4-5H2,(H,14,17)(H2,15,16,18,19)/t9-/m0/s1
InChIKeyAWBBNQWGIDFGNO-VIFPVBQESA-N
MW326.15 g/mol
LogP1.38
Rot. Bonds4

About N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 25465837) has the molecular formula C12H12BrN3O3 and a molecular weight of 326.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID25465837
Molecular FormulaC12H12BrN3O3
Molecular Weight326.15 g/mol
Exact Mass325.01
IUPAC NameN-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H12BrN3O3/c13-7-2-1-3-8(6-7)14-10(17)5-4-9-11(18)16-12(19)15-9/h1-3,6,9H,4-5H2,(H,14,17)(H2,15,16,18,19)/t9-/m0/s1
InChIKeyAWBBNQWGIDFGNO-VIFPVBQESA-N
XLogP1.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoylamino]benzoate
CID 25465841
N-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134157564
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-(3-bromophenyl)-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51837600
N-(2,4-dibromophenyl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide
CID 118382196
3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide
CID 110743570
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 95284997
2-(2,5-dioxoimidazolidin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 47150004
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 94823440
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 25465837) is N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is O=C(CC[C@@H]1NC(=O)NC1=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is AWBBNQWGIDFGNO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12BrN3O3/c13-7-2-1-3-8(6-7)14-10(17)5-4-9-11(18)16-12(19)15-9/h1-3,6,9H,4-5H2,(H,14,17)(H2,15,16,18,19)/t9-/m0/s1.
What are the key properties of N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 326.15 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 25465837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).