N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide

C16H15N3O4 — CID 3317661

IUPACN-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H15N3O4/c1-11(20)17-13-3-2-4-14(10-13)18-16(21)9-12-5-7-15(8-6-12)19(22)23/h2-8,10H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyJXJVZXIWMFLHFE-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.73
Rot. Bonds5

About N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide

N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide (PubChem CID 3317661) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
PubChem CID3317661
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H15N3O4/c1-11(20)17-13-3-2-4-14(10-13)18-16(21)9-12-5-7-15(8-6-12)19(22)23/h2-8,10H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyJXJVZXIWMFLHFE-UHFFFAOYSA-N
XLogP2.73
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
CID 34110855
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 26289356
N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
CID 4536667
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
CID 42852606
N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 43010536
N-(3-acetamidophenyl)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 34756945
2-[3-(dimethylcarbamoylamino)phenyl]-N-(4-nitrophenyl)acetamide
CID 54274791
2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 34454824
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 14180969

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide (CID 3317661) is N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide is CC(=O)Nc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is JXJVZXIWMFLHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-11(20)17-13-3-2-4-14(10-13)18-16(21)9-12-5-7-15(8-6-12)19(22)23/h2-8,10H,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide?
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 313.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3317661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).