N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide

C18H19ClN2O4 — CID 108511990

IUPACN'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C18H19ClN2O4/c1-10-7-11(2)16(13(19)8-10)21-18(23)17(22)20-14-9-12(24-3)5-6-15(14)25-4/h5-9H,1-4H3,(H,20,22)(H,21,23)
InChIKeyQYLMSSFNJPRTMU-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.55
Rot. Bonds4

About N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide

N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide (PubChem CID 108511990) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide
PubChem CID108511990
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C18H19ClN2O4/c1-10-7-11(2)16(13(19)8-10)21-18(23)17(22)20-14-9-12(24-3)5-6-15(14)25-4/h5-9H,1-4H3,(H,20,22)(H,21,23)
InChIKeyQYLMSSFNJPRTMU-UHFFFAOYSA-N
XLogP3.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.55
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

N'-(2-chloro-4,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515624
N'-(2-chloro-4,6-dimethylphenyl)-N-(3-chloro-4-methoxyphenyl)oxamide
CID 108501287
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea
CID 108991921
N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide
CID 108511999
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 53265828
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108532254
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930220
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869537

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide?
The IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide (CID 108511990) is N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide.
What is the SMILES notation for N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide?
The canonical SMILES for N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide is COc1ccc(OC)c(NC(=O)C(=O)Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide?
The InChIKey is QYLMSSFNJPRTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-10-7-11(2)16(13(19)8-10)21-18(23)17(22)20-14-9-12(24-3)5-6-15(14)25-4/h5-9H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide?
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide has a molecular weight of 362.81 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide is sourced from PubChem (CID 108511990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).