N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide

C16H14ClN3O5 — CID 108513231

IUPACN'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14ClN3O5/c1-9-7-13(14(25-2)8-12(9)17)19-16(22)15(21)18-10-3-5-11(6-4-10)20(23)24/h3-8H,1-2H3,(H,18,21)(H,19,22)
InChIKeyYBDXOYDHNSIGBM-UHFFFAOYSA-N
MW363.76 g/mol
LogP3.14
Rot. Bonds4

About N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide (PubChem CID 108513231) has the molecular formula C16H14ClN3O5 and a molecular weight of 363.76 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide
PubChem CID108513231
Molecular FormulaC16H14ClN3O5
Molecular Weight363.76 g/mol
Exact Mass363.06
IUPAC NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14ClN3O5/c1-9-7-13(14(25-2)8-12(9)17)19-16(22)15(21)18-10-3-5-11(6-4-10)20(23)24/h3-8H,1-2H3,(H,18,21)(H,19,22)
InChIKeyYBDXOYDHNSIGBM-UHFFFAOYSA-N
XLogP3.14
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 53.14
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'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108514881
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-nitroanilino)butanamide
CID 29354551
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide
CID 2944518
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide
CID 108513014
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide
CID 108501670
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298
N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513035
N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532479
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
N'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108502754

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide?
The IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide (CID 108513231) is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide.
What is the SMILES notation for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide?
The canonical SMILES for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide is COc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide?
The InChIKey is YBDXOYDHNSIGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5/c1-9-7-13(14(25-2)8-12(9)17)19-16(22)15(21)18-10-3-5-11(6-4-10)20(23)24/h3-8H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide?
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide has a molecular weight of 363.76 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide is sourced from PubChem (CID 108513231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).