N'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide

C11H13ClN2O3 — CID 2273877

IUPACN'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide
SMILESCCNC(=O)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-3-13-10(15)11(16)14-7-4-5-9(17-2)8(12)6-7/h4-6H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyXRDKEYIQFLJYHV-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.42
Rot. Bonds3

About N'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide

N'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide (PubChem CID 2273877) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is N'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide
PubChem CID2273877
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC NameN'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide
SMILESCCNC(=O)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-3-13-10(15)11(16)14-7-4-5-9(17-2)8(12)6-7/h4-6H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyXRDKEYIQFLJYHV-UHFFFAOYSA-N
XLogP1.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide?
The IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide (CID 2273877) is N'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide.
What is the SMILES notation for N'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide?
The canonical SMILES for N'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide is CCNC(=O)C(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide?
The InChIKey is XRDKEYIQFLJYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-3-13-10(15)11(16)14-7-4-5-9(17-2)8(12)6-7/h4-6H,3H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide?
N'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide has a molecular weight of 256.69 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methoxyphenyl)-N-ethyloxamide is sourced from PubChem (CID 2273877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).