N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide

C17H17ClN2O3 — CID 108521016

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-11-9-14(15(23-3)10-13(11)18)19-16(21)17(22)20(2)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,21)
InChIKeyVDVORWOCWZVTPP-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.26
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide (PubChem CID 108521016) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide
PubChem CID108521016
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-11-9-14(15(23-3)10-13(11)18)19-16(21)17(22)20(2)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,21)
InChIKeyVDVORWOCWZVTPP-UHFFFAOYSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.26
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

N'-benzyl-N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2-hydroxyethyl)oxamide
CID 108523848
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298
N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide
CID 108528740
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380
1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea
CID 108988904
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503847
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 2561325
4-(4-chloro-2-methoxy-5-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991531
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162350
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide (CID 108521016) is N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide is COc1cc(Cl)c(C)cc1NC(=O)C(=O)N(C)c1ccccc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide?
The InChIKey is VDVORWOCWZVTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-9-14(15(23-3)10-13(11)18)19-16(21)17(22)20(2)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide has a molecular weight of 332.79 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide is sourced from PubChem (CID 108521016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).