N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide

C18H18Cl2N2O4 — CID 108986643

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O4/c1-25-13-5-6-16(26-2)15(10-13)22-18(24)17(23)21-8-7-11-3-4-12(19)9-14(11)20/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWAXVQYJKBGNFTI-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.31
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide

N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide (PubChem CID 108986643) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
PubChem CID108986643
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O4/c1-25-13-5-6-16(26-2)15(10-13)22-18(24)17(23)21-8-7-11-3-4-12(19)9-14(11)20/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWAXVQYJKBGNFTI-UHFFFAOYSA-N
XLogP3.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.31
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-(2,4-dichlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 108986644
N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 86996000
N'-(2,5-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44995669
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 44998127
N'-(5-chloro-2-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502150
N'-(5-chloro-2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2274078
N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 44902655
methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate
CID 7705071
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
N'-(2,4-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44998130
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213433

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide (CID 108986643) is N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide is COc1ccc(OC)c(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide?
The InChIKey is WAXVQYJKBGNFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-25-13-5-6-16(26-2)15(10-13)22-18(24)17(23)21-8-7-11-3-4-12(19)9-14(11)20/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide has a molecular weight of 397.26 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide is sourced from PubChem (CID 108986643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).