N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide

C18H18Cl2N2O4 — CID 108500688

IUPACN-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C18H18Cl2N2O4/c1-10(11-7-8-14(25-2)15(9-11)26-3)21-17(23)18(24)22-13-6-4-5-12(19)16(13)20/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyWTLLXDYBMOTANR-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.83
Rot. Bonds5

About N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide

N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide (PubChem CID 108500688) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide
PubChem CID108500688
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC NameN-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C18H18Cl2N2O4/c1-10(11-7-8-14(25-2)15(9-11)26-3)21-17(23)18(24)22-13-6-4-5-12(19)16(13)20/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyWTLLXDYBMOTANR-UHFFFAOYSA-N
XLogP3.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.83
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

(Z)-2-cyano-3-(2,3-dichloroanilino)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 108846929
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)oxamide
CID 108510172
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108510196
N-(2,3-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108500692
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide
CID 108510112
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide
CID 108510018
(Z)-2-cyano-3-(2,6-dichloroanilino)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 108847191
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide (CID 108500688) is N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide is COc1ccc(C(C)NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1OC.
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide?
The InChIKey is WTLLXDYBMOTANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-10(11-7-8-14(25-2)15(9-11)26-3)21-17(23)18(24)22-13-6-4-5-12(19)16(13)20/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide?
N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide has a molecular weight of 397.26 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108500688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).