2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide

C24H19ClN4O5 — CID 55622502

IUPAC2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C24H19ClN4O5/c25-19-12-11-18(29(33)34)13-20(19)26-21(30)15-28-23(31)22(17-9-5-2-6-10-17)27(24(28)32)14-16-7-3-1-4-8-16/h1-13,22H,14-15H2,(H,26,30)
InChIKeyBHCFVIQSEMBSCT-UHFFFAOYSA-N
MW478.89 g/mol
LogP4.39
Rot. Bonds7

About 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide

2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide (PubChem CID 55622502) has the molecular formula C24H19ClN4O5 and a molecular weight of 478.89 g/mol. Its IUPAC name is 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
PubChem CID55622502
Molecular FormulaC24H19ClN4O5
Molecular Weight478.89 g/mol
Exact Mass478.10
IUPAC Name2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C24H19ClN4O5/c25-19-12-11-18(29(33)34)13-20(19)26-21(30)15-28-23(31)22(17-9-5-2-6-10-17)27(24(28)32)14-16-7-3-1-4-8-16/h1-13,22H,14-15H2,(H,26,30)
InChIKeyBHCFVIQSEMBSCT-UHFFFAOYSA-N
XLogP4.39
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.89
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3,5-difluorophenyl)acetamide
CID 55733350
1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 55622254
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55622331
N-(2-chloro-5-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622702
N-(2-chloro-5-nitrophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703755
N-(2-chloro-5-nitrophenyl)-2-(4-phenylphenyl)acetamide
CID 92556751
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127
N-(2-chloro-5-nitrophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2706115
2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55622157
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-nitrophenyl)acetamide
CID 40857084
N-(2-chloro-5-nitrophenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 6598296
N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522188

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide (CID 55622502) is 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide is O=C(CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide?
The InChIKey is BHCFVIQSEMBSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O5/c25-19-12-11-18(29(33)34)13-20(19)26-21(30)15-28-23(31)22(17-9-5-2-6-10-17)27(24(28)32)14-16-7-3-1-4-8-16/h1-13,22H,14-15H2,(H,26,30).
What are the key properties of 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide?
2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide has a molecular weight of 478.89 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide is sourced from PubChem (CID 55622502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).