N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide

C23H21IN2O2 — CID 163970431

IUPACN-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide
SMILESCc1ccc(CC(NC(=O)C(=O)Nc2cccc(I)c2)c2ccccc2)cc1
InChIInChI=1S/C23H21IN2O2/c1-16-10-12-17(13-11-16)14-21(18-6-3-2-4-7-18)26-23(28)22(27)25-20-9-5-8-19(24)15-20/h2-13,15,21H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyPUXXFCLFOPOAQS-UHFFFAOYSA-N
MW484.34 g/mol
LogP4.64
Rot. Bonds5

About N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide

N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide (PubChem CID 163970431) has the molecular formula C23H21IN2O2 and a molecular weight of 484.34 g/mol. Its IUPAC name is N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide
PubChem CID163970431
Molecular FormulaC23H21IN2O2
Molecular Weight484.34 g/mol
Exact Mass484.06
IUPAC NameN-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide
SMILESCc1ccc(CC(NC(=O)C(=O)Nc2cccc(I)c2)c2ccccc2)cc1
InChIInChI=1S/C23H21IN2O2/c1-16-10-12-17(13-11-16)14-21(18-6-3-2-4-7-18)26-23(28)22(27)25-20-9-5-8-19(24)15-20/h2-13,15,21H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyPUXXFCLFOPOAQS-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.34
LogP ≤ 54.64
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'}

Analyze N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-iodophenyl)-2-(4-methylphenyl)ethanol
CID 63017729
N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798119
N-(3-iodophenyl)-3,3-diphenylpropanamide
CID 1297500
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid
CID 61186265
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide
CID 54296875
N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide
CID 111799086
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
N-(3-iodophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26757675
methyl 2-(3-iodoanilino)-2-oxoacetate
CID 112683075
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-iodobenzamide
CID 56728750

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide?
The IUPAC name of N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide (CID 163970431) is N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide.
What is the SMILES notation for N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide?
The canonical SMILES for N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide is Cc1ccc(CC(NC(=O)C(=O)Nc2cccc(I)c2)c2ccccc2)cc1.
What is the InChIKey of N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide?
The InChIKey is PUXXFCLFOPOAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21IN2O2/c1-16-10-12-17(13-11-16)14-21(18-6-3-2-4-7-18)26-23(28)22(27)25-20-9-5-8-19(24)15-20/h2-13,15,21H,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide?
N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide has a molecular weight of 484.34 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide is sourced from PubChem (CID 163970431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).