N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide

C12H11N3O3 — CID 6378980

IUPACN-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2/NC(=O)NC2=O)cc1
InChIInChI=1S/C12H11N3O3/c1-7(16)13-9-4-2-8(3-5-9)6-10-11(17)15-12(18)14-10/h2-6H,1H3,(H,13,16)(H2,14,15,17,18)/b10-6+
InChIKeySSTFEKWMBIEVFN-UXBLZVDNSA-N
MW245.24 g/mol
LogP0.83
Rot. Bonds2

About N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide

N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide (PubChem CID 6378980) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide
PubChem CID6378980
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2/NC(=O)NC2=O)cc1
InChIInChI=1S/C12H11N3O3/c1-7(16)13-9-4-2-8(3-5-9)6-10-11(17)15-12(18)14-10/h2-6H,1H3,(H,13,16)(H2,14,15,17,18)/b10-6+
InChIKeySSTFEKWMBIEVFN-UXBLZVDNSA-N
XLogP0.83
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 2911575
(5E)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 727382
(5Z)-5-[(4-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697033
(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
CID 91247316
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 745258
N-[4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]acetamide
CID 7996424
N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide
CID 2360372
N-[4-[(E)-[(5Z)-5-[(4-acetamidophenyl)methylidene]-1-methyl-4-oxopiperidin-1-ium-3-ylidene]methyl]phenyl]acetamide
CID 2415957
[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenyl] acetate
CID 54271325
(5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 50853485
(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 11253625
N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide
CID 2768382

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide (CID 6378980) is N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C2/NC(=O)NC2=O)cc1.
What is the InChIKey of N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide?
The InChIKey is SSTFEKWMBIEVFN-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-7(16)13-9-4-2-8(3-5-9)6-10-11(17)15-12(18)14-10/h2-6H,1H3,(H,13,16)(H2,14,15,17,18)/b10-6+.
What are the key properties of N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide?
N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide has a molecular weight of 245.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 6378980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).