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

C16H16BrN3O3 — CID 9252615

IUPACN-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16BrN3O3/c1-19(10-12-6-8-13(9-7-12)20(22)23)11-16(21)18-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyJQSKPYQAWJJUOW-UHFFFAOYSA-N
MW378.23 g/mol
LogP3.43
Rot. Bonds6

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

N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide (PubChem CID 9252615) has the molecular formula C16H16BrN3O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
PubChem CID9252615
Molecular FormulaC16H16BrN3O3
Molecular Weight378.23 g/mol
Exact Mass377.04
IUPAC NameN-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16BrN3O3/c1-19(10-12-6-8-13(9-7-12)20(22)23)11-16(21)18-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyJQSKPYQAWJJUOW-UHFFFAOYSA-N
XLogP3.43
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 53.43
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

2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9024086
N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 27215844
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-3,5-dinitrobenzamide
CID 26896533
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9250556
N-(2-bromophenyl)-2-[methyl-(5-nitropyrimidin-2-yl)amino]acetamide
CID 133467146
2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
CID 2657318
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 9252111
N-(2-bromo-4-nitrophenyl)-2-[butyl(methyl)amino]acetamide
CID 31477713
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
N-(2-bromophenyl)-2-(4-nitroanilino)acetamide
CID 4780880
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide (CID 9252615) is N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide is CN(CC(=O)Nc1ccccc1Br)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide?
The InChIKey is JQSKPYQAWJJUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3/c1-19(10-12-6-8-13(9-7-12)20(22)23)11-16(21)18-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,18,21).
What are the key properties of N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide?
N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide has a molecular weight of 378.23 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide is sourced from PubChem (CID 9252615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).