N-benzyl-N-(2-iodo-4-methylphenyl)acetamide

C16H16INO — CID 11079043

IUPACN-benzyl-N-(2-iodo-4-methylphenyl)acetamide
SMILESCC(=O)N(Cc1ccccc1)c1ccc(C)cc1I
InChIInChI=1S/C16H16INO/c1-12-8-9-16(15(17)10-12)18(13(2)19)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyRHDYEXMKWDCWBQ-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.15
Rot. Bonds3

About N-benzyl-N-(2-iodo-4-methylphenyl)acetamide

N-benzyl-N-(2-iodo-4-methylphenyl)acetamide (PubChem CID 11079043) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is N-benzyl-N-(2-iodo-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-iodo-4-methylphenyl)acetamide
PubChem CID11079043
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC NameN-benzyl-N-(2-iodo-4-methylphenyl)acetamide
SMILESCC(=O)N(Cc1ccccc1)c1ccc(C)cc1I
InChIInChI=1S/C16H16INO/c1-12-8-9-16(15(17)10-12)18(13(2)19)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyRHDYEXMKWDCWBQ-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-iodo-4-methylphenyl)acetamide?
The IUPAC name of N-benzyl-N-(2-iodo-4-methylphenyl)acetamide (CID 11079043) is N-benzyl-N-(2-iodo-4-methylphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(2-iodo-4-methylphenyl)acetamide?
The canonical SMILES for N-benzyl-N-(2-iodo-4-methylphenyl)acetamide is CC(=O)N(Cc1ccccc1)c1ccc(C)cc1I.
What is the InChIKey of N-benzyl-N-(2-iodo-4-methylphenyl)acetamide?
The InChIKey is RHDYEXMKWDCWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-12-8-9-16(15(17)10-12)18(13(2)19)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of N-benzyl-N-(2-iodo-4-methylphenyl)acetamide?
N-benzyl-N-(2-iodo-4-methylphenyl)acetamide has a molecular weight of 365.21 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-iodo-4-methylphenyl)acetamide is sourced from PubChem (CID 11079043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).