N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide

C17H17N3O4 — CID 1484336

IUPACN-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O4/c1-12(21)18-14-6-8-15(9-7-14)19-17(22)16-5-3-2-4-13(16)10-11-20(23)24/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyPZZCJRJJXSTZGV-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.72
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide

N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide (PubChem CID 1484336) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide
PubChem CID1484336
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O4/c1-12(21)18-14-6-8-15(9-7-14)19-17(22)16-5-3-2-4-13(16)10-11-20(23)24/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyPZZCJRJJXSTZGV-UHFFFAOYSA-N
XLogP2.72
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.72
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-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide
CID 4865570
2-butyl-N-phenylbenzamide
CID 3695058
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid
CID 1113667
N-(4-acetylphenyl)-2-(aminomethyl)benzamide
CID 82546626
N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide
CID 104548252
N-(4-acetamidophenyl)-2-(2-cyanophenyl)benzamide
CID 27843811
2-(hydroxymethyl)-N-phenylbenzamide
CID 14198283
2-(fluoromethyl)-N-phenylbenzamide
CID 141101349
N-(3-acetamido-4-fluorophenyl)-2-(2-phenylethyl)benzamide
CID 55532787
N-[4-(ethylsulfonylamino)phenyl]-2-(2-phenylethyl)benzamide
CID 60556640
N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide (CID 1484336) is N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide is CC(=O)Nc1ccc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide?
The InChIKey is PZZCJRJJXSTZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-12(21)18-14-6-8-15(9-7-14)19-17(22)16-5-3-2-4-13(16)10-11-20(23)24/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide?
N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide has a molecular weight of 327.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide is sourced from PubChem (CID 1484336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).