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

C17H16Cl2N2O2 — CID 7585286

IUPACN'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-14(19)3-2-4-15(11)21-17(23)16(22)20-10-9-12-5-7-13(18)8-6-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyOWVNWYPOBMNAQV-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.60
Rot. Bonds4

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

N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide (PubChem CID 7585286) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
PubChem CID7585286
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-14(19)3-2-4-15(11)21-17(23)16(22)20-10-9-12-5-7-13(18)8-6-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyOWVNWYPOBMNAQV-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(dimethylamino)phenyl]ethyl]oxamide
CID 16891528
1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891823
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585293
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
methyl 2-[[2-[2-(4-chlorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985817
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 45000329
N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
CID 4185911
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782312

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide (CID 7585286) is N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide?
The InChIKey is OWVNWYPOBMNAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11-14(19)3-2-4-15(11)21-17(23)16(22)20-10-9-12-5-7-13(18)8-6-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide?
N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide has a molecular weight of 351.23 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide is sourced from PubChem (CID 7585286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).