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

C19H17Cl2N3O3 — CID 2583083

IUPACN-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H17Cl2N3O3/c1-19(14-4-2-3-5-15(14)21)17(26)24(18(27)23-19)11-16(25)22-10-12-6-8-13(20)9-7-12/h2-9H,10-11H2,1H3,(H,22,25)(H,23,27)/t19-/m0/s1
InChIKeyWKSHZTOCHDHEHI-IBGZPJMESA-N
MW406.27 g/mol
LogP3.08
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2583083) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2583083
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H17Cl2N3O3/c1-19(14-4-2-3-5-15(14)21)17(26)24(18(27)23-19)11-16(25)22-10-12-6-8-13(20)9-7-12/h2-9H,10-11H2,1H3,(H,22,25)(H,23,27)/t19-/m0/s1
InChIKeyWKSHZTOCHDHEHI-IBGZPJMESA-N
XLogP3.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 53.08
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

N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702240
N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702151
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801238
methyl 2-[[2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetate
CID 2122537
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2703067
N-benzyl-2-[[2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 41236353
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2702247
N-[(3-chlorophenyl)methyl]-2-[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41079981
N-(3-chlorophenyl)-2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702241
N-[(4-chlorophenyl)methyl]-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51132253
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2583083) is N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is WKSHZTOCHDHEHI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c1-19(14-4-2-3-5-15(14)21)17(26)24(18(27)23-19)11-16(25)22-10-12-6-8-13(20)9-7-12/h2-9H,10-11H2,1H3,(H,22,25)(H,23,27)/t19-/m0/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 406.27 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2583083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).