N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide

C21H16N2O5 — CID 7816683

IUPACN-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H16N2O5/c24-20(14-28-17-12-10-16(11-13-17)23(26)27)22-19-9-5-4-8-18(19)21(25)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,24)
InChIKeyRMHXJVFKSBNCOE-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.84
Rot. Bonds7

About N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide

N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 7816683) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID7816683
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC NameN-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H16N2O5/c24-20(14-28-17-12-10-16(11-13-17)23(26)27)22-19-9-5-4-8-18(19)21(25)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,24)
InChIKeyRMHXJVFKSBNCOE-UHFFFAOYSA-N
XLogP3.84
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945414
N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 4942017
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide
CID 9082146
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4936008
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387
5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid
CID 759752
2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
2-(4-nitrophenoxy)-N'-phenylacetohydrazide
CID 739659

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide (CID 7816683) is N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is RMHXJVFKSBNCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c24-20(14-28-17-12-10-16(11-13-17)23(26)27)22-19-9-5-4-8-18(19)21(25)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,24).
What are the key properties of N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide?
N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 376.37 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 7816683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).