N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C22H22ClN3O3 — CID 46975247

IUPACN-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)NCC2(c3ccccc3Cl)CC2)C1=O
InChIInChI=1S/C22H22ClN3O3/c1-21(15-7-3-2-4-8-15)19(28)26(20(29)25-21)13-18(27)24-14-22(11-12-22)16-9-5-6-10-17(16)23/h2-10H,11-14H2,1H3,(H,24,27)(H,25,29)
InChIKeyCVXMWLYUFNEWSZ-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.95
Rot. Bonds6

About N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 46975247) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID46975247
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC NameN-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)NCC2(c3ccccc3Cl)CC2)C1=O
InChIInChI=1S/C22H22ClN3O3/c1-21(15-7-3-2-4-8-15)19(28)26(20(29)25-21)13-18(27)24-14-22(11-12-22)16-9-5-6-10-17(16)23/h2-10H,11-14H2,1H3,(H,24,27)(H,25,29)
InChIKeyCVXMWLYUFNEWSZ-UHFFFAOYSA-N
XLogP2.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 52.95
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

2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56519734
N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702240
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-ynylacetamide
CID 42891284
methyl 2-[[2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetate
CID 2122537
N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2583083
N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702151
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 51317259
N-[(2S)-butan-2-yl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702159
N-butan-2-yl-2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4799733
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopentylacetamide
CID 2711182
N-(3-chlorophenyl)-2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702241
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 46975247) is N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CC1(c2ccccc2)NC(=O)N(CC(=O)NCC2(c3ccccc3Cl)CC2)C1=O.
What is the InChIKey of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is CVXMWLYUFNEWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-21(15-7-3-2-4-8-15)19(28)26(20(29)25-21)13-18(27)24-14-22(11-12-22)16-9-5-6-10-17(16)23/h2-10H,11-14H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 411.89 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 46975247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).