N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide

C22H22ClN3O4 — CID 34635630

IUPACN-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide
SMILESCC[C@@H](NC(=O)CN1C(=O)C(=O)N([C@H](C)c2ccccc2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O4/c1-3-18(16-9-11-17(23)12-10-16)24-19(27)13-25-20(28)21(29)26(22(25)30)14(2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,24,27)/t14-,18-/m1/s1
InChIKeyYXJONWFXQODUNU-RDTXWAMCSA-N
MW427.89 g/mol
LogP3.46
Rot. Bonds7

About N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide

N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide (PubChem CID 34635630) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide
PubChem CID34635630
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC NameN-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide
SMILESCC[C@@H](NC(=O)CN1C(=O)C(=O)N([C@H](C)c2ccccc2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O4/c1-3-18(16-9-11-17(23)12-10-16)24-19(27)13-25-20(28)21(29)26(22(25)30)14(2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,24,27)/t14-,18-/m1/s1
InChIKeyYXJONWFXQODUNU-RDTXWAMCSA-N
XLogP3.46
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 8569191
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384
N-[(1R)-1-phenylethyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975986
1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione
CID 129370846
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 8569401
N-[1-(4-chlorophenyl)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24600817
N-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 17450177
2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
CID 30399638
N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 41490453
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide (CID 34635630) is N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide is CC[C@@H](NC(=O)CN1C(=O)C(=O)N([C@H](C)c2ccccc2)C1=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide?
The InChIKey is YXJONWFXQODUNU-RDTXWAMCSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c1-3-18(16-9-11-17(23)12-10-16)24-19(27)13-25-20(28)21(29)26(22(25)30)14(2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,24,27)/t14-,18-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide?
N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide has a molecular weight of 427.89 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 34635630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).