N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide

C16H16N2O3 — CID 3384916

IUPACN-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O3/c1-11-6-5-7-12(2)16(11)17-15(19)10-13-8-3-4-9-14(13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyFJTPOVUKJJJQIZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.39
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide

N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide (PubChem CID 3384916) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
PubChem CID3384916
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O3/c1-11-6-5-7-12(2)16(11)17-15(19)10-13-8-3-4-9-14(13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyFJTPOVUKJJJQIZ-UHFFFAOYSA-N
XLogP3.39
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8964424
N-(3-chloro-4-methylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384920
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
CID 26880181
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 4785770
N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
CID 885126
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(2-nitrophenyl)acetamide
CID 103602216
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60664546
N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide
CID 35728569
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 4548648
2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide
CID 8545864

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide (CID 3384916) is N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide is Cc1cccc(C)c1NC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is FJTPOVUKJJJQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-6-5-7-12(2)16(11)17-15(19)10-13-8-3-4-9-14(13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide?
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 284.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 3384916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).