N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide

C16H13N3O5 — CID 108513258

IUPACN-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H13N3O5/c1-10(20)11-5-7-12(8-6-11)17-15(21)16(22)18-13-3-2-4-14(9-13)19(23)24/h2-9H,1H3,(H,17,21)(H,18,22)
InChIKeyOJHQVYUSFYMFMH-UHFFFAOYSA-N
MW327.30 g/mol
LogP2.37
Rot. Bonds4

About N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide

N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide (PubChem CID 108513258) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
PubChem CID108513258
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC NameN-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H13N3O5/c1-10(20)11-5-7-12(8-6-11)17-15(21)16(22)18-13-3-2-4-14(9-13)19(23)24/h2-9H,1H3,(H,17,21)(H,18,22)
InChIKeyOJHQVYUSFYMFMH-UHFFFAOYSA-N
XLogP2.37
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-nitrophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 45001038
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108513404
N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide
CID 17180814
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
2-methyl-N-(3-nitrophenyl)pent-2-enamide
CID 75895988
N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108515064
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
methyl 3-[[2-(4-acetylanilino)-2-oxoacetyl]amino]benzoate
CID 108987464
cycloheptane;1-(3-nitrophenyl)ethanone
CID 142103484
N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide
CID 108513373

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide (CID 108513258) is N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide is CC(=O)c1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide?
The InChIKey is OJHQVYUSFYMFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c1-10(20)11-5-7-12(8-6-11)17-15(21)16(22)18-13-3-2-4-14(9-13)19(23)24/h2-9H,1H3,(H,17,21)(H,18,22).
What are the key properties of N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide?
N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide has a molecular weight of 327.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide is sourced from PubChem (CID 108513258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).