N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide

C16H15N3O4 — CID 45001006

IUPACN'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15N3O4/c1-10-6-11(2)8-13(7-10)18-16(21)15(20)17-12-4-3-5-14(9-12)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyJSSSJPKXFXIMRC-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.79
Rot. Bonds3

About N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide

N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide (PubChem CID 45001006) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
PubChem CID45001006
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15N3O4/c1-10-6-11(2)8-13(7-10)18-16(21)15(20)17-12-4-3-5-14(9-12)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyJSSSJPKXFXIMRC-UHFFFAOYSA-N
XLogP2.79
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
CID 108513258
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide
CID 108513373
N'-(3-nitrophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 45001038
2-methyl-N-(3-nitrophenyl)pent-2-enamide
CID 75895988
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926208
(Z)-3-nitro-2-[(3-nitrophenyl)carbamoyl]prop-2-enoic acid
CID 142664521
N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108513404
N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide
CID 108513255

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide (CID 45001006) is N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide?
The InChIKey is JSSSJPKXFXIMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10-6-11(2)8-13(7-10)18-16(21)15(20)17-12-4-3-5-14(9-12)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide?
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide has a molecular weight of 313.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide is sourced from PubChem (CID 45001006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).