N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide

C17H18BrN3O3 — CID 27215844

IUPACN-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
SMILESCc1ccccc1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C17H18BrN3O3/c1-12-5-3-4-6-13(12)10-20(2)11-17(22)19-16-8-7-14(21(23)24)9-15(16)18/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyQZUWISRZMBKAEE-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.74
Rot. Bonds6

About N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide

N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide (PubChem CID 27215844) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
PubChem CID27215844
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC NameN-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
SMILESCc1ccccc1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C17H18BrN3O3/c1-12-5-3-4-6-13(12)10-20(2)11-17(22)19-16-8-7-14(21(23)24)9-15(16)18/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyQZUWISRZMBKAEE-UHFFFAOYSA-N
XLogP3.74
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-nitrophenyl)-2-[butyl(methyl)amino]acetamide
CID 31477713
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9057976
N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9252615
N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 27204786
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8964424
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 9288076
2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 9252111
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 9196683
2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 27204661
N-(2-chloro-4-nitrophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9288060
N-(2-bromo-4-nitrophenyl)-3-methylbutanamide
CID 4604816

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide (CID 27215844) is N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide is Cc1ccccc1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
The InChIKey is QZUWISRZMBKAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c1-12-5-3-4-6-13(12)10-20(2)11-17(22)19-16-8-7-14(21(23)24)9-15(16)18/h3-9H,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide has a molecular weight of 392.25 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 27215844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).