ethane;N-(3-nitrophenyl)acetamide

C10H14N2O3 — CID 90876834

IUPACethane;N-(3-nitrophenyl)acetamide
SMILESCC.CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H8N2O3.C2H6/c1-6(11)9-7-3-2-4-8(5-7)10(12)13;1-2/h2-5H,1H3,(H,9,11);1-2H3
InChIKeySZOOSQDBXIRGIP-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.58
Rot. Bonds2

About ethane;N-(3-nitrophenyl)acetamide

ethane;N-(3-nitrophenyl)acetamide (PubChem CID 90876834) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethane;N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Nameethane;N-(3-nitrophenyl)acetamide
PubChem CID90876834
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethane;N-(3-nitrophenyl)acetamide
SMILESCC.CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H8N2O3.C2H6/c1-6(11)9-7-3-2-4-8(5-7)10(12)13;1-2/h2-5H,1H3,(H,9,11);1-2H3
InChIKeySZOOSQDBXIRGIP-UHFFFAOYSA-N
XLogP2.58
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.58
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

ethane;N-(3-nitrophenyl)prop-2-enamide
CID 142347687
ethane;methanol;N-methyl-3-nitroaniline
CID 144908950
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
CID 108513258
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
3-methoxy-N-(3-nitrophenyl)but-2-enamide
CID 54522333
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
1-(3-nitroanilino)propan-2-one
CID 141021170
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-nitrophenyl)acetamide?
The IUPAC name of ethane;N-(3-nitrophenyl)acetamide (CID 90876834) is ethane;N-(3-nitrophenyl)acetamide.
What is the SMILES notation for ethane;N-(3-nitrophenyl)acetamide?
The canonical SMILES for ethane;N-(3-nitrophenyl)acetamide is CC.CC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of ethane;N-(3-nitrophenyl)acetamide?
The InChIKey is SZOOSQDBXIRGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3.C2H6/c1-6(11)9-7-3-2-4-8(5-7)10(12)13;1-2/h2-5H,1H3,(H,9,11);1-2H3.
What are the key properties of ethane;N-(3-nitrophenyl)acetamide?
ethane;N-(3-nitrophenyl)acetamide has a molecular weight of 210.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 90876834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).