N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide

C17H17IN2O2 — CID 108516339

IUPACN'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H17IN2O2/c1-12-10-14(18)8-9-15(12)19-16(21)17(22)20(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyMTNXUBROVYNFJK-UHFFFAOYSA-N
MW408.24 g/mol
LogP3.20
Rot. Bonds3

About N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide

N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide (PubChem CID 108516339) has the molecular formula C17H17IN2O2 and a molecular weight of 408.24 g/mol. Its IUPAC name is N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
PubChem CID108516339
Molecular FormulaC17H17IN2O2
Molecular Weight408.24 g/mol
Exact Mass408.03
IUPAC NameN'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H17IN2O2/c1-12-10-14(18)8-9-15(12)19-16(21)17(22)20(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyMTNXUBROVYNFJK-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
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'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
CID 108514233
N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
CID 87039915
N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108509538
(Z)-3-[benzyl(ethyl)amino]-2-cyano-N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 108860116
N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide
CID 47335971
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457
N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108516418
1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea
CID 47186088
N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide
CID 108509276
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide
CID 87039893

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide?
The IUPAC name of N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide (CID 108516339) is N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide.
What is the SMILES notation for N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide?
The canonical SMILES for N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide is Cc1cc(I)ccc1NC(=O)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide?
The InChIKey is MTNXUBROVYNFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O2/c1-12-10-14(18)8-9-15(12)19-16(21)17(22)20(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide?
N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide has a molecular weight of 408.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide is sourced from PubChem (CID 108516339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).