N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide

C15H12ClIN2O2 — CID 108500263

IUPACN'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClIN2O2/c1-9-8-10(17)6-7-12(9)18-14(20)15(21)19-13-5-3-2-4-11(13)16/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyMWDDDAUUFACGFZ-UHFFFAOYSA-N
MW414.63 g/mol
LogP3.83
Rot. Bonds2

About N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide

N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide (PubChem CID 108500263) has the molecular formula C15H12ClIN2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
PubChem CID108500263
Molecular FormulaC15H12ClIN2O2
Molecular Weight414.63 g/mol
Exact Mass413.96
IUPAC NameN'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClIN2O2/c1-9-8-10(17)6-7-12(9)18-14(20)15(21)19-13-5-3-2-4-11(13)16/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyMWDDDAUUFACGFZ-UHFFFAOYSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 53.83
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-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide
CID 2604442
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671
N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391
N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516453
N-(2-chlorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210368
N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47226232
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 27222679
N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108512029
(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 92647108
1-(2-chlorophenyl)-3-(4-ethyl-2-methylphenyl)urea
CID 71013489
N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225790

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide (CID 108500263) is N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide is Cc1cc(I)ccc1NC(=O)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide?
The InChIKey is MWDDDAUUFACGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN2O2/c1-9-8-10(17)6-7-12(9)18-14(20)15(21)19-13-5-3-2-4-11(13)16/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide?
N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide has a molecular weight of 414.63 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide is sourced from PubChem (CID 108500263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).