N-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide

C18H19ClN2O3 — CID 166950894

IUPACN-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide
SMILESCCOc1cc(CCl)ccc1NC(=O)C(=O)Nc1ccccc1C
InChIInChI=1S/C18H19ClN2O3/c1-3-24-16-10-13(11-19)8-9-15(16)21-18(23)17(22)20-14-7-5-4-6-12(14)2/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFGYPCCYBJXVSML-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.71
Rot. Bonds5

About N-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide

N-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide (PubChem CID 166950894) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide
PubChem CID166950894
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide
SMILESCCOc1cc(CCl)ccc1NC(=O)C(=O)Nc1ccccc1C
InChIInChI=1S/C18H19ClN2O3/c1-3-24-16-10-13(11-19)8-9-15(16)21-18(23)17(22)20-14-7-5-4-6-12(14)2/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFGYPCCYBJXVSML-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826
6-N-(2-ethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100070
N-(2-ethoxyphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 44997898
[2-(2-methylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823053
N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955185
(Z)-2-cyano-3-[2-(3,4-diethoxyphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide
CID 108821504
1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
CID 22459222
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135756956
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
CID 87039915
N-[4-(2-chloroethyl)-2-ethoxyphenyl]-2,2,2-trifluoroacetamide
CID 82260559

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide?
The IUPAC name of N-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide (CID 166950894) is N-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide.
What is the SMILES notation for N-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide?
The canonical SMILES for N-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide is CCOc1cc(CCl)ccc1NC(=O)C(=O)Nc1ccccc1C.
What is the InChIKey of N-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide?
The InChIKey is FGYPCCYBJXVSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-24-16-10-13(11-19)8-9-15(16)21-18(23)17(22)20-14-7-5-4-6-12(14)2/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide?
N-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide has a molecular weight of 346.81 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-2-ethoxyphenyl]-N'-(2-methylphenyl)oxamide is sourced from PubChem (CID 166950894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).