N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C20H19BrN4O5 — CID 56684725

IUPACN-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCN(Cc1ccccc1Br)C(=O)CN1C(=O)NC(C)(c2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C20H19BrN4O5/c1-20(14-7-5-8-15(10-14)25(29)30)18(27)24(19(28)22-20)12-17(26)23(2)11-13-6-3-4-9-16(13)21/h3-10H,11-12H2,1-2H3,(H,22,28)
InChIKeyODQCSYAWUQFISR-UHFFFAOYSA-N
MW475.30 g/mol
LogP2.78
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 56684725) has the molecular formula C20H19BrN4O5 and a molecular weight of 475.30 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID56684725
Molecular FormulaC20H19BrN4O5
Molecular Weight475.30 g/mol
Exact Mass474.05
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCN(Cc1ccccc1Br)C(=O)CN1C(=O)NC(C)(c2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C20H19BrN4O5/c1-20(14-7-5-8-15(10-14)25(29)30)18(27)24(19(28)22-20)12-17(26)23(2)11-13-6-3-4-9-16(13)21/h3-10H,11-12H2,1-2H3,(H,22,28)
InChIKeyODQCSYAWUQFISR-UHFFFAOYSA-N
XLogP2.78
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.30
LogP ≤ 52.78
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

N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55685063
N,N-dimethyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075598
N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 43075515
N-[(2-bromophenyl)methyl]-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 46815577
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 55445044
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7809240
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 24654212
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 31215613
N-[2,6-di(propan-2-yl)phenyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075611
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 7596071
N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 18085542
N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075508

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 56684725) is N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CN(Cc1ccccc1Br)C(=O)CN1C(=O)NC(C)(c2cccc([N+](=O)[O-])c2)C1=O.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ODQCSYAWUQFISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O5/c1-20(14-7-5-8-15(10-14)25(29)30)18(27)24(19(28)22-20)12-17(26)23(2)11-13-6-3-4-9-16(13)21/h3-10H,11-12H2,1-2H3,(H,22,28).
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 475.30 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 56684725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).