2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide

C17H18N2O3 — CID 31868499

IUPAC2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide
SMILESCCCc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O3/c1-2-5-14-6-3-4-7-16(14)18-17(20)12-13-8-10-15(11-9-13)19(21)22/h3-4,6-11H,2,5,12H2,1H3,(H,18,20)
InChIKeyARGHZJLYSVXONK-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.73
Rot. Bonds6

About 2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide

2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide (PubChem CID 31868499) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide
PubChem CID31868499
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide
SMILESCCCc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O3/c1-2-5-14-6-3-4-7-16(14)18-17(20)12-13-8-10-15(11-9-13)19(21)22/h3-4,6-11H,2,5,12H2,1H3,(H,18,20)
InChIKeyARGHZJLYSVXONK-UHFFFAOYSA-N
XLogP3.73
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.73
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-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide
CID 30728355
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
CID 46196416
2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide
CID 31870599
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 4548648
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 90626132
N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 5216204
N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 3656947
ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
N-[3-(2-ethylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2674902

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide (CID 31868499) is 2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide is CCCc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide?
The InChIKey is ARGHZJLYSVXONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-5-14-6-3-4-7-16(14)18-17(20)12-13-8-10-15(11-9-13)19(21)22/h3-4,6-11H,2,5,12H2,1H3,(H,18,20).
What are the key properties of 2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide?
2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide is sourced from PubChem (CID 31868499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).