N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide

C15H12ClN3O5 — CID 108513447

IUPACN'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C15H12ClN3O5/c1-24-11-4-2-3-9(7-11)17-14(20)15(21)18-13-8-10(19(22)23)5-6-12(13)16/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyHWBHEPHYIRIAKQ-UHFFFAOYSA-N
MW349.73 g/mol
LogP2.83
Rot. Bonds4

About N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide

N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide (PubChem CID 108513447) has the molecular formula C15H12ClN3O5 and a molecular weight of 349.73 g/mol. Its IUPAC name is N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide
PubChem CID108513447
Molecular FormulaC15H12ClN3O5
Molecular Weight349.73 g/mol
Exact Mass349.05
IUPAC NameN'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C15H12ClN3O5/c1-24-11-4-2-3-9(7-11)17-14(20)15(21)18-13-8-10(19(22)23)5-6-12(13)16/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyHWBHEPHYIRIAKQ-UHFFFAOYSA-N
XLogP2.83
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.73
LogP ≤ 52.83
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

(2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide
CID 7830357
N'-(2-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 45000733
N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108515064
N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108513496
N'-(4-amino-3-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 108515975
N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
CID 108513456
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 7865797
N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508659
N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500936
dimethyl 2-[[2-(2-chloro-5-nitroanilino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108513485
N'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide
CID 108506355
2-bromo-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide
CID 20660513

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide?
The IUPAC name of N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide (CID 108513447) is N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide?
The canonical SMILES for N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1.
What is the InChIKey of N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide?
The InChIKey is HWBHEPHYIRIAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O5/c1-24-11-4-2-3-9(7-11)17-14(20)15(21)18-13-8-10(19(22)23)5-6-12(13)16/h2-8H,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide?
N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide has a molecular weight of 349.73 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 108513447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).