N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide

C17H17ClN2O2 — CID 45000329

IUPACN'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H17ClN2O2/c1-3-12-7-9-13(10-8-12)19-16(21)17(22)20-15-6-4-5-14(18)11(15)2/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBRHCOXRHNOUOHG-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.79
Rot. Bonds3

About N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide

N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide (PubChem CID 45000329) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide
PubChem CID45000329
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H17ClN2O2/c1-3-12-7-9-13(10-8-12)19-16(21)17(22)20-15-6-4-5-14(18)11(15)2/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBRHCOXRHNOUOHG-UHFFFAOYSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.79
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)-4-ethylbenzamide
CID 2671399
2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267440
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907858
N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
CID 4185911
N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 7585286
N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315663
N'-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)propanediamide
CID 108955010
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(3-chloro-2-methylphenyl)-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 132660099
N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142859
N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide
CID 124670787
ethyl 4-[[3-(3-chloro-2-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108955120

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide (CID 45000329) is N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide is CCc1ccc(NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide?
The InChIKey is BRHCOXRHNOUOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-3-12-7-9-13(10-8-12)19-16(21)17(22)20-15-6-4-5-14(18)11(15)2/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide?
N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide has a molecular weight of 316.79 g/mol, XLogP of 3.79, 3 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-(4-ethylphenyl)oxamide is sourced from PubChem (CID 45000329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).