3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide

C23H23ClN4O4 — CID 46677334

IUPAC3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1=O
InChIInChI=1S/C23H23ClN4O4/c1-2-23(15-6-8-16(24)9-7-15)21(31)28(22(32)27-23)13-19(29)25-18-5-3-4-14(12-18)20(30)26-17-10-11-17/h3-9,12,17H,2,10-11,13H2,1H3,(H,25,29)(H,26,30)(H,27,32)
InChIKeyAGWIEVMVAORKBM-UHFFFAOYSA-N
MW454.91 g/mol
LogP3.03
Rot. Bonds7

About 3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide

3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 46677334) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is 3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
PubChem CID46677334
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC Name3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1=O
InChIInChI=1S/C23H23ClN4O4/c1-2-23(15-6-8-16(24)9-7-15)21(31)28(22(32)27-23)13-19(29)25-18-5-3-4-14(12-18)20(30)26-17-10-11-17/h3-9,12,17H,2,10-11,13H2,1H3,(H,25,29)(H,26,30)(H,27,32)
InChIKeyAGWIEVMVAORKBM-UHFFFAOYSA-N
XLogP3.03
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 2584765
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 42964377
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 2531072
N-cyclopropyl-2-[[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]benzamide
CID 26524720
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2584779
N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 46443985
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 18266833
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2584670
N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 26993725
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 42969912
N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide
CID 92786679

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide (CID 46677334) is 3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide is CCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1=O.
What is the InChIKey of 3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is AGWIEVMVAORKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c1-2-23(15-6-8-16(24)9-7-15)21(31)28(22(32)27-23)13-19(29)25-18-5-3-4-14(12-18)20(30)26-17-10-11-17/h3-9,12,17H,2,10-11,13H2,1H3,(H,25,29)(H,26,30)(H,27,32).
What are the key properties of 3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide?
3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 454.91 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 46677334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).