N-(2-acetyl-6-nitrophenyl)acetamide

C10H10N2O4 — CID 4639280

IUPACN-(2-acetyl-6-nitrophenyl)acetamide
SMILESCC(=O)Nc1c(C(C)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O4/c1-6(13)8-4-3-5-9(12(15)16)10(8)11-7(2)14/h3-5H,1-2H3,(H,11,14)
InChIKeyDNSKVIATGDFXLO-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.76
Rot. Bonds3

About N-(2-acetyl-6-nitrophenyl)acetamide

N-(2-acetyl-6-nitrophenyl)acetamide (PubChem CID 4639280) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is N-(2-acetyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-acetyl-6-nitrophenyl)acetamide
PubChem CID4639280
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC NameN-(2-acetyl-6-nitrophenyl)acetamide
SMILESCC(=O)Nc1c(C(C)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O4/c1-6(13)8-4-3-5-9(12(15)16)10(8)11-7(2)14/h3-5H,1-2H3,(H,11,14)
InChIKeyDNSKVIATGDFXLO-UHFFFAOYSA-N
XLogP1.76
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.76
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'}

Analyze N-(2-acetyl-6-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide
CID 71373249
N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide
CID 151794274
N-(2-amino-6-nitrophenyl)acetamide
CID 67947056
N-(2-nitro-6-propan-2-ylphenyl)acetamide
CID 45074590
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607
methane;2-nitro-6-phenylaniline;N-(2-nitro-6-phenylphenyl)acetamide
CID 159190796
methyl (E)-3-(2-acetamido-3-nitrophenyl)prop-2-enoate
CID 18433472
2-[(4-acetylphenyl)carbamoyl]-3-nitrobenzoate
CID 3588857
N-(4-bromophenyl)-2-(methylamino)-3-nitrobenzamide
CID 115936424
N-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
1-(3-nitro-2-prop-2-enoxyphenyl)ethanone
CID 71490496
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-6-nitrophenyl)acetamide?
The IUPAC name of N-(2-acetyl-6-nitrophenyl)acetamide (CID 4639280) is N-(2-acetyl-6-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-acetyl-6-nitrophenyl)acetamide?
The canonical SMILES for N-(2-acetyl-6-nitrophenyl)acetamide is CC(=O)Nc1c(C(C)=O)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-acetyl-6-nitrophenyl)acetamide?
The InChIKey is DNSKVIATGDFXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-6(13)8-4-3-5-9(12(15)16)10(8)11-7(2)14/h3-5H,1-2H3,(H,11,14).
What are the key properties of N-(2-acetyl-6-nitrophenyl)acetamide?
N-(2-acetyl-6-nitrophenyl)acetamide has a molecular weight of 222.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 4639280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).