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

C16H16ClN3O3 — CID 8901305

IUPAC2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1
InChIInChI=1S/C16H16ClN3O3/c1-19(10-12-5-3-2-4-6-12)11-16(21)18-15-8-7-13(20(22)23)9-14(15)17/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyHZTJGKJUXGOYLA-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.32
Rot. Bonds6

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

2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide (PubChem CID 8901305) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
PubChem CID8901305
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1
InChIInChI=1S/C16H16ClN3O3/c1-19(10-12-5-3-2-4-6-12)11-16(21)18-15-8-7-13(20(22)23)9-14(15)17/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyHZTJGKJUXGOYLA-UHFFFAOYSA-N
XLogP3.32
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.32
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-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965875
N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 111336322
N-(2-chloro-4-nitrophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9288060
N-(2-chloro-4-nitrophenyl)-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]acetamide
CID 126829500
2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide
CID 34020532
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 9252111
2-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222930
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-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide
CID 18870864
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 8778343

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide (CID 8901305) is 2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide is CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide?
The InChIKey is HZTJGKJUXGOYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-19(10-12-5-3-2-4-6-12)11-16(21)18-15-8-7-13(20(22)23)9-14(15)17/h2-9H,10-11H2,1H3,(H,18,21).
What are the key properties of 2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide?
2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide has a molecular weight of 333.78 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide is sourced from PubChem (CID 8901305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).