2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide

C18H20INO — CID 100526826

IUPAC2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide
SMILESCc1cccc(CCCNC(=O)c2ccc(C)cc2I)c1
InChIInChI=1S/C18H20INO/c1-13-5-3-6-15(11-13)7-4-10-20-18(21)16-9-8-14(2)12-17(16)19/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)
InChIKeyOKZWHTKFUBWKOD-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.27
Rot. Bonds5

About 2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide

2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide (PubChem CID 100526826) has the molecular formula C18H20INO and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide
PubChem CID100526826
Molecular FormulaC18H20INO
Molecular Weight393.27 g/mol
Exact Mass393.06
IUPAC Name2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide
SMILESCc1cccc(CCCNC(=O)c2ccc(C)cc2I)c1
InChIInChI=1S/C18H20INO/c1-13-5-3-6-15(11-13)7-4-10-20-18(21)16-9-8-14(2)12-17(16)19/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)
InChIKeyOKZWHTKFUBWKOD-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-4-methyl-N-(2-phenylethyl)benzamide
CID 100523119
2-iodo-N-[3-(2-methoxyphenyl)propyl]-4-methylbenzamide
CID 100526608
N-benzyl-2-iodo-4-methylbenzamide
CID 100523072
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide
CID 84505459
2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 100525876
N-[3-(3-methylphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516624
N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide
CID 110661159
2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62315224
N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 84533264
N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide
CID 100527914
N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
CID 100720245

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide?
The IUPAC name of 2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide (CID 100526826) is 2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide.
What is the SMILES notation for 2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide?
The canonical SMILES for 2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide is Cc1cccc(CCCNC(=O)c2ccc(C)cc2I)c1.
What is the InChIKey of 2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide?
The InChIKey is OKZWHTKFUBWKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO/c1-13-5-3-6-15(11-13)7-4-10-20-18(21)16-9-8-14(2)12-17(16)19/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21).
What are the key properties of 2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide?
2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide has a molecular weight of 393.27 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide is sourced from PubChem (CID 100526826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).