N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide

C18H19ClN2O4 — CID 108524113

IUPACN'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
SMILESCOc1ccc(OCCNC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H19ClN2O4/c1-12-11-13(19)3-8-16(12)21-18(23)17(22)20-9-10-25-15-6-4-14(24-2)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDSJBHVFNQLBJKM-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.79
Rot. Bonds6

About N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide

N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide (PubChem CID 108524113) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
PubChem CID108524113
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
SMILESCOc1ccc(OCCNC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H19ClN2O4/c1-12-11-13(19)3-8-16(12)21-18(23)17(22)20-9-10-25-15-6-4-14(24-2)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDSJBHVFNQLBJKM-UHFFFAOYSA-N
XLogP2.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-methylphenyl)-3-[2-(3,4-dimethylphenoxy)ethyl]urea
CID 112974174
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213433
N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide
CID 4241326
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 2073757
N-(4-chloro-2-methylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510319
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
N'-(2-ethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108530359
3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031081
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
N-(4-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3969942
N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
CID 7914785

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide (CID 108524113) is N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide is COc1ccc(OCCNC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The InChIKey is DSJBHVFNQLBJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-12-11-13(19)3-8-16(12)21-18(23)17(22)20-9-10-25-15-6-4-14(24-2)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide has a molecular weight of 362.81 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide is sourced from PubChem (CID 108524113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).