N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide

C15H12N2O4 — CID 12584423

IUPACN-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N2O4/c18-14(11-6-8-13(9-7-11)17(20)21)10-16-15(19)12-4-2-1-3-5-12/h1-9H,10H2,(H,16,19)
InChIKeyJRCUDXOHBLPYBQ-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.21
Rot. Bonds5

About N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide

N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide (PubChem CID 12584423) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
PubChem CID12584423
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC NameN-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N2O4/c18-14(11-6-8-13(9-7-11)17(20)21)10-16-15(19)12-4-2-1-3-5-12/h1-9H,10H2,(H,16,19)
InChIKeyJRCUDXOHBLPYBQ-UHFFFAOYSA-N
XLogP2.21
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.21
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'}

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Related Compounds

[2-(4-nitrophenyl)-2-oxoethyl]carbamic acid
CID 151942284
[2-(4-nitrophenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
CID 3499042
N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide
CID 9224321
2-(3-benzoylanilino)-1-(4-nitrophenyl)ethanone
CID 110824996
N-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]benzamide
CID 46933545
4-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299693
5-nitro-N-phenacylthiophene-2-carboxamide
CID 106737184
4-nitro-N-(3-phenylprop-2-ynyl)benzamide
CID 51325780
2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
CID 60572009
[2-(4-nitrophenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 2165374
2-[3-[(4-nitrobenzoyl)amino]propanoylamino]acetic acid
CID 119171145
[2-(4-benzamidophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 5209942

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide (CID 12584423) is N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide?
The InChIKey is JRCUDXOHBLPYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-14(11-6-8-13(9-7-11)17(20)21)10-16-15(19)12-4-2-1-3-5-12/h1-9H,10H2,(H,16,19).
What are the key properties of N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide?
N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide has a molecular weight of 284.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 12584423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).