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

C20H19ClN4O4 — CID 2702151

IUPACN-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C20H19ClN4O4/c1-20(14-9-5-6-10-15(14)21)17(27)25(19(29)24-20)12-16(26)23-18(28)22-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,24,29)(H2,22,23,26,28)/t20-/m0/s1
InChIKeyQNAXFXGCAADJCN-FQEVSTJZSA-N
MW414.85 g/mol
LogP2.13
Rot. Bonds5

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

N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2702151) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2702151
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC NameN-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C20H19ClN4O4/c1-20(14-9-5-6-10-15(14)21)17(27)25(19(29)24-20)12-16(26)23-18(28)22-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,24,29)(H2,22,23,26,28)/t20-/m0/s1
InChIKeyQNAXFXGCAADJCN-FQEVSTJZSA-N
XLogP2.13
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.13
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

N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702240
N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2583083
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2583031
N-benzyl-2-[[2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 41236353
2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 4813035
methyl 2-[[2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetate
CID 2122537
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2702247
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-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 18777504
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 2583050
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopentylacetamide
CID 2711182

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2702151) is N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O.
What is the InChIKey of N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is QNAXFXGCAADJCN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c1-20(14-9-5-6-10-15(14)21)17(27)25(19(29)24-20)12-16(26)23-18(28)22-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,24,29)(H2,22,23,26,28)/t20-/m0/s1.
What are the key properties of N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 414.85 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2702151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).