N-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide

C13H17ClN2O3 — CID 2196963

IUPACN-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c1-4-16(5-2)13(18)12(17)15-9-6-7-11(19-3)10(14)8-9/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyAYSNMCGYPMLDFE-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.16
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide

N-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide (PubChem CID 2196963) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide
PubChem CID2196963
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c1-4-16(5-2)13(18)12(17)15-9-6-7-11(19-3)10(14)8-9/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyAYSNMCGYPMLDFE-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Metoxuron
CID 29863
Acetamide, N-(3-chloro-4-methoxyphenyl)-
CID 23474
Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester
CID 94705
N-(3-chloro-4-ethoxyphenyl)acetamide
CID 13799749
1-allyl-N-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486111
N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965468
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-N'-(4-methoxyphenyl)urea
CID 5308271
N-(3-chloro-4-methoxyphenyl)-3-methyl-2-butenamide
CID 731858
N-[4-[5-(4-acetamido-2-chlorophenoxy)pentoxy]-3-chlorophenyl]acetamide
CID 44531032
2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-2-methyl-N-(2-phenylethyl)propanamide
CID 49766515
Phenyl (3-chloro-4-methoxyphenyl)carbamate
CID 731707
N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide
CID 886049

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide (CID 2196963) is N-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide is CCN(CC)C(=O)C(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide?
The InChIKey is AYSNMCGYPMLDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-4-16(5-2)13(18)12(17)15-9-6-7-11(19-3)10(14)8-9/h6-8H,4-5H2,1-3H3,(H,15,17).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide?
N-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide has a molecular weight of 284.74 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N',N'-diethyloxamide is sourced from PubChem (CID 2196963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).