2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide

C16H16INO — CID 2981930

IUPAC2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C16H16INO/c1-11-7-9-13(10-8-11)12(2)18-16(19)14-5-3-4-6-15(14)17/h3-10,12H,1-2H3,(H,18,19)
InChIKeyNPQIWVXGLLNAJP-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.09
Rot. Bonds3

About 2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide

2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide (PubChem CID 2981930) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is 2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide
PubChem CID2981930
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC Name2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C16H16INO/c1-11-7-9-13(10-8-11)12(2)18-16(19)14-5-3-4-6-15(14)17/h3-10,12H,1-2H3,(H,18,19)
InChIKeyNPQIWVXGLLNAJP-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.09
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-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
CID 42906427
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide
CID 43297726
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-iodo-4-methylbenzamide
CID 100526550
N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide
CID 54110010
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-iodobenzamide
CID 60674615

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide (CID 2981930) is 2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccccc2I)cc1.
What is the InChIKey of 2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is NPQIWVXGLLNAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-11-7-9-13(10-8-11)12(2)18-16(19)14-5-3-4-6-15(14)17/h3-10,12H,1-2H3,(H,18,19).
What are the key properties of 2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide?
2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 365.21 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 2981930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).