N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide

C17H17ClN2O5 — CID 45000696

IUPACN'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H17ClN2O5/c1-23-13-6-4-10(18)8-12(13)20-17(22)16(21)19-11-5-7-14(24-2)15(9-11)25-3/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyRHNDQJCEJXXSLB-UHFFFAOYSA-N
MW364.79 g/mol
LogP2.94
Rot. Bonds5

About N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide

N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide (PubChem CID 45000696) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
PubChem CID45000696
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H17ClN2O5/c1-23-13-6-4-10(18)8-12(13)20-17(22)16(21)19-11-5-7-14(24-2)15(9-11)25-3/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyRHNDQJCEJXXSLB-UHFFFAOYSA-N
XLogP2.94
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-chlorophenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502189
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
N-(5-chloro-2-methoxyphenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108502213
N'-(5-chloro-2-methoxyphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108502324
N'-(5-chloro-2-methoxyphenyl)-N-cyclopropyloxamide
CID 2194402
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
N'-(5-chloro-2-methoxyphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 44901794
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515607
N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 51471617
N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
CID 108955190

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide (CID 45000696) is N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide?
The InChIKey is RHNDQJCEJXXSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-23-13-6-4-10(18)8-12(13)20-17(22)16(21)19-11-5-7-14(24-2)15(9-11)25-3/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide?
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide has a molecular weight of 364.79 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide is sourced from PubChem (CID 45000696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).