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

C15H19IN2O2 — CID 47224422

IUPACN-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)NC1CCCCC1
InChIInChI=1S/C15H19IN2O2/c1-10-9-11(16)7-8-13(10)18-15(20)14(19)17-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyDOBNBXSHRIUDAX-UHFFFAOYSA-N
MW386.23 g/mol
LogP2.99
Rot. Bonds2

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

N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide (PubChem CID 47224422) has the molecular formula C15H19IN2O2 and a molecular weight of 386.23 g/mol. Its IUPAC name is N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide
PubChem CID47224422
Molecular FormulaC15H19IN2O2
Molecular Weight386.23 g/mol
Exact Mass386.05
IUPAC NameN-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)NC1CCCCC1
InChIInChI=1S/C15H19IN2O2/c1-10-9-11(16)7-8-13(10)18-15(20)14(19)17-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyDOBNBXSHRIUDAX-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 52.99
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-cyclopentyl-N'-(2-methylphenyl)oxamide
CID 2290931
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
N-cycloheptyl-N'-(2,6-dimethylphenyl)oxamide
CID 7541637
2-hydroxy-N-(4-iodo-2-methylphenyl)cyclopentane-1-carboxamide
CID 110013609
N'-(2-tert-butylphenyl)-N-cycloheptyloxamide
CID 108530177
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea
CID 1379880
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391
N-cyclohexyl-N'-(2,5-difluorophenyl)oxamide
CID 7585081
N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108500263

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide?
The IUPAC name of N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide (CID 47224422) is N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide.
What is the SMILES notation for N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide?
The canonical SMILES for N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide is Cc1cc(I)ccc1NC(=O)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide?
The InChIKey is DOBNBXSHRIUDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O2/c1-10-9-11(16)7-8-13(10)18-15(20)14(19)17-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide?
N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide has a molecular weight of 386.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide is sourced from PubChem (CID 47224422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).