N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide

C18H19ClN2O4 — CID 44998127

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C18H19ClN2O4/c1-24-14-7-8-15(16(11-14)25-2)21-18(23)17(22)20-10-9-12-3-5-13(19)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySIBLVVJCZVUAEV-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.65
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide

N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide (PubChem CID 44998127) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
PubChem CID44998127
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C18H19ClN2O4/c1-24-14-7-8-15(16(11-14)25-2)21-18(23)17(22)20-10-9-12-3-5-13(19)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySIBLVVJCZVUAEV-UHFFFAOYSA-N
XLogP2.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2274190
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 108986644
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213433
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
N'-(2,4-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44998130
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
N'-(5-chloro-2-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502150
N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 86996000
1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 108902358
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 16891910
N'-(2-chloro-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 121478703
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 108986643

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide (CID 44998127) is N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide?
The InChIKey is SIBLVVJCZVUAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-24-14-7-8-15(16(11-14)25-2)21-18(23)17(22)20-10-9-12-3-5-13(19)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide?
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide has a molecular weight of 362.81 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide is sourced from PubChem (CID 44998127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).