N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide

C18H19IN2O2 — CID 108512029

IUPACN'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C18H19IN2O2/c1-4-13-7-5-6-11(2)16(13)21-18(23)17(22)20-15-9-8-14(19)10-12(15)3/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyOJRCQWADGAWTMH-UHFFFAOYSA-N
MW422.27 g/mol
LogP4.05
Rot. Bonds3

About N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide

N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide (PubChem CID 108512029) has the molecular formula C18H19IN2O2 and a molecular weight of 422.27 g/mol. Its IUPAC name is N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
PubChem CID108512029
Molecular FormulaC18H19IN2O2
Molecular Weight422.27 g/mol
Exact Mass422.05
IUPAC NameN'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C18H19IN2O2/c1-4-13-7-5-6-11(2)16(13)21-18(23)17(22)20-15-9-8-14(19)10-12(15)3/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyOJRCQWADGAWTMH-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108512069
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
N'-(2,6-diethylphenyl)-N-(2,3-dimethylphenyl)oxamide
CID 108511380
N-(2-ethoxyphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 44997898
N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108500263
N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391
(Z)-2-cyano-3-(2-ethylanilino)-N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 108860189
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47226232
N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108512068
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide?
The IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide (CID 108512029) is N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide.
What is the SMILES notation for N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide?
The canonical SMILES for N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide is CCc1cccc(C)c1NC(=O)C(=O)Nc1ccc(I)cc1C.
What is the InChIKey of N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide?
The InChIKey is OJRCQWADGAWTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O2/c1-4-13-7-5-6-11(2)16(13)21-18(23)17(22)20-15-9-8-14(19)10-12(15)3/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide?
N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide has a molecular weight of 422.27 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide is sourced from PubChem (CID 108512029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).