2-iodo-4-methyl-N-(2-phenylethyl)benzamide

C16H16INO — CID 100523119

IUPAC2-iodo-4-methyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NCCc2ccccc2)c(I)c1
InChIInChI=1S/C16H16INO/c1-12-7-8-14(15(17)11-12)16(19)18-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyPDTFSJVWJZMAHE-UHFFFAOYSA-N
MW365.21 g/mol
LogP3.57
Rot. Bonds4

About 2-iodo-4-methyl-N-(2-phenylethyl)benzamide

2-iodo-4-methyl-N-(2-phenylethyl)benzamide (PubChem CID 100523119) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is 2-iodo-4-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-iodo-4-methyl-N-(2-phenylethyl)benzamide
PubChem CID100523119
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC Name2-iodo-4-methyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NCCc2ccccc2)c(I)c1
InChIInChI=1S/C16H16INO/c1-12-7-8-14(15(17)11-12)16(19)18-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyPDTFSJVWJZMAHE-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-iodo-4-methylbenzamide
CID 100523072
2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide
CID 100526826
2-amino-5-methyl-N-(2-phenylethyl)benzamide
CID 62073277
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
2-iodo-N-[3-(2-methoxyphenyl)propyl]-4-methylbenzamide
CID 100526608
2-(2,4-dimethylphenyl)-N-(2-phenylethyl)acetamide
CID 100770824
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide
CID 100527914
2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 100525876
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-iodo-4-methyl-N-(2-phenylethyl)benzamide (CID 100523119) is 2-iodo-4-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-iodo-4-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-iodo-4-methyl-N-(2-phenylethyl)benzamide is Cc1ccc(C(=O)NCCc2ccccc2)c(I)c1.
What is the InChIKey of 2-iodo-4-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is PDTFSJVWJZMAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-12-7-8-14(15(17)11-12)16(19)18-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-iodo-4-methyl-N-(2-phenylethyl)benzamide?
2-iodo-4-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 365.21 g/mol, XLogP of 3.57, 4 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-(2-phenylethyl)benzamide is sourced from PubChem (CID 100523119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).