N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

C18H16ClN3O3 — CID 86995457

IUPACN'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1
InChIInChI=1S/C18H16ClN3O3/c1-25-15-5-2-12(3-6-15)8-9-21-17(23)18(24)22-14-4-7-16(19)13(10-14)11-20/h2-7,10H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyGSCNAOQOHQGEJI-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.52
Rot. Bonds5

About N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 86995457) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID86995457
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1
InChIInChI=1S/C18H16ClN3O3/c1-25-15-5-2-12(3-6-15)8-9-21-17(23)18(24)22-14-4-7-16(19)13(10-14)11-20/h2-7,10H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyGSCNAOQOHQGEJI-UHFFFAOYSA-N
XLogP2.52
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

AG-26
CID 727787
N-[(4-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655390
N-(4-chlorophenyl)-N'-(4-methoxybenzyl)butanediamide
CID 3968274
N-(3-Chloro-4-methylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide
CID 2201159
N'-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213488
N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2217968
N-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide
CID 2218015
N-(3-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide
CID 2218090
N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 2218126
N-(4-chlorophenyl)-N'-(4-methoxybenzyl)ethanediamide
CID 2281328
N1-(4-chlorophenyl)-N2-(4-methoxyphenethyl)oxalamide
CID 2876208
N'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585054

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 86995457) is N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1.
What is the InChIKey of N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is GSCNAOQOHQGEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-25-15-5-2-12(3-6-15)8-9-21-17(23)18(24)22-14-4-7-16(19)13(10-14)11-20/h2-7,10H,8-9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 357.80 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-cyanophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 86995457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).