N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide

C19H21ClN2O2 — CID 108532234

IUPACN-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Cl)c1cccc(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-5-22(15-8-6-7-12(2)10-15)19(24)18(23)21-17-14(4)9-13(3)11-16(17)20/h6-11H,5H2,1-4H3,(H,21,23)
InChIKeyQXULPJUTITUBLR-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.26
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide

N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide (PubChem CID 108532234) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
PubChem CID108532234
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Cl)c1cccc(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-5-22(15-8-6-7-12(2)10-15)19(24)18(23)21-17-14(4)9-13(3)11-16(17)20/h6-11H,5H2,1-4H3,(H,21,23)
InChIKeyQXULPJUTITUBLR-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532413
2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113167577
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521008
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108954109
N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108530217
N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
CID 108526043
N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
CID 113141830
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide
CID 108513389
2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142159

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide (CID 108532234) is N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide is CCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Cl)c1cccc(C)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
The InChIKey is QXULPJUTITUBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-5-22(15-8-6-7-12(2)10-15)19(24)18(23)21-17-14(4)9-13(3)11-16(17)20/h6-11H,5H2,1-4H3,(H,21,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide has a molecular weight of 344.84 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 108532234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).