N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C16H19Cl2N3O3 — CID 2702977

IUPACN-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C16H19Cl2N3O3/c1-4-9(2)19-13(22)8-21-14(23)16(3,20-15(21)24)11-6-5-10(17)7-12(11)18/h5-7,9H,4,8H2,1-3H3,(H,19,22)(H,20,24)/t9-,16-/m0/s1
InChIKeyKEVBGYSJAHFWQC-FVMDXXJSSA-N
MW372.25 g/mol
LogP2.68
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2702977) has the molecular formula C16H19Cl2N3O3 and a molecular weight of 372.25 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2702977
Molecular FormulaC16H19Cl2N3O3
Molecular Weight372.25 g/mol
Exact Mass371.08
IUPAC NameN-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C16H19Cl2N3O3/c1-4-9(2)19-13(22)8-21-14(23)16(3,20-15(21)24)11-6-5-10(17)7-12(11)18/h5-7,9H,4,8H2,1-3H3,(H,19,22)(H,20,24)/t9-,16-/m0/s1
InChIKeyKEVBGYSJAHFWQC-FVMDXXJSSA-N
XLogP2.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 52.68
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-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide
CID 4804687
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
N-[(2R)-butan-2-yl]-2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705949
N-[(2S)-butan-2-yl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705946
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4804703
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4532304
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8570970
ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 5138739
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 41088760
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 42982801

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2702977) is N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is KEVBGYSJAHFWQC-FVMDXXJSSA-N. The full InChI is InChI=1S/C16H19Cl2N3O3/c1-4-9(2)19-13(22)8-21-14(23)16(3,20-15(21)24)11-6-5-10(17)7-12(11)18/h5-7,9H,4,8H2,1-3H3,(H,19,22)(H,20,24)/t9-,16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 372.25 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2702977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).