N-(2-nitro-6-propan-2-ylphenyl)acetamide

C11H14N2O3 — CID 45074590

IUPACN-(2-nitro-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1c(C(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-7(2)9-5-4-6-10(13(15)16)11(9)12-8(3)14/h4-7H,1-3H3,(H,12,14)
InChIKeyUQGOGZNSJLPTDB-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.68
Rot. Bonds3

About N-(2-nitro-6-propan-2-ylphenyl)acetamide

N-(2-nitro-6-propan-2-ylphenyl)acetamide (PubChem CID 45074590) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-(2-nitro-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-nitro-6-propan-2-ylphenyl)acetamide
PubChem CID45074590
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-(2-nitro-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1c(C(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-7(2)9-5-4-6-10(13(15)16)11(9)12-8(3)14/h4-7H,1-3H3,(H,12,14)
InChIKeyUQGOGZNSJLPTDB-UHFFFAOYSA-N
XLogP2.68
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.68
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

N-[2,6-di(propan-2-yl)phenyl]acetamide;N-[4-nitro-2,6-di(propan-2-yl)phenyl]acetamide
CID 158896077
N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide
CID 71373249
N-(2-amino-6-nitrophenyl)acetamide
CID 67947056
N-(2-acetyl-6-nitrophenyl)acetamide
CID 4639280
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-nitrobenzamide
CID 957054
2-(2,6-dinitroanilino)propanoic acid
CID 89114421
1,2-dinitro-3-propan-2-ylbenzene
CID 14670542
N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide
CID 151794274
2-fluoro-1-nitro-3-propan-2-ylbenzene
CID 59860466
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107906031

Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-6-propan-2-ylphenyl)acetamide?
The IUPAC name of N-(2-nitro-6-propan-2-ylphenyl)acetamide (CID 45074590) is N-(2-nitro-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-(2-nitro-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-(2-nitro-6-propan-2-ylphenyl)acetamide is CC(=O)Nc1c(C(C)C)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitro-6-propan-2-ylphenyl)acetamide?
The InChIKey is UQGOGZNSJLPTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(2)9-5-4-6-10(13(15)16)11(9)12-8(3)14/h4-7H,1-3H3,(H,12,14).
What are the key properties of N-(2-nitro-6-propan-2-ylphenyl)acetamide?
N-(2-nitro-6-propan-2-ylphenyl)acetamide has a molecular weight of 222.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 45074590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).