N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

C18H19ClN2O3 — CID 7585293

IUPACN'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12-15(19)4-3-5-16(12)21-18(23)17(22)20-11-10-13-6-8-14(24-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQPDXHVOWXKLJOW-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.95
Rot. Bonds5

About N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 7585293) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID7585293
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12-15(19)4-3-5-16(12)21-18(23)17(22)20-11-10-13-6-8-14(24-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQPDXHVOWXKLJOW-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 7585286
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 16891528
N'-(2-chloro-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 121478703
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213433
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]oxamide
CID 16891358
N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891698
N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide
CID 4607386
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 833416
1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891823
1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902007
N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308845
N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
CID 7585365

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 7585293) is N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is QPDXHVOWXKLJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-15(19)4-3-5-16(12)21-18(23)17(22)20-11-10-13-6-8-14(24-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 346.81 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 7585293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).