N-[(4-iodophenyl)methyl]acetamide

C9H10INO — CID 23111624

IUPACN-[(4-iodophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(I)cc1
InChIInChI=1S/C9H10INO/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyZZBDLGMAYJGKSG-UHFFFAOYSA-N
MW275.09 g/mol
LogP1.93
Rot. Bonds2

About N-[(4-iodophenyl)methyl]acetamide

N-[(4-iodophenyl)methyl]acetamide (PubChem CID 23111624) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]acetamide
PubChem CID23111624
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC NameN-[(4-iodophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(I)cc1
InChIInChI=1S/C9H10INO/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyZZBDLGMAYJGKSG-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.93
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

ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
4-(acetamidomethyl)benzoyl chloride
CID 13131539
4-(acetamidomethyl)benzoate
CID 4573914
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide
CID 170399576
[4-(acetamidomethyl)phenyl] acetate
CID 15576450
N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide
CID 68720830
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
2-acetamido-N-(4-iodophenyl)acetamide
CID 60636455
N-[(4-anilinophenyl)methyl]acetamide
CID 11853463

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]acetamide?
The IUPAC name of N-[(4-iodophenyl)methyl]acetamide (CID 23111624) is N-[(4-iodophenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-iodophenyl)methyl]acetamide?
The canonical SMILES for N-[(4-iodophenyl)methyl]acetamide is CC(=O)NCc1ccc(I)cc1.
What is the InChIKey of N-[(4-iodophenyl)methyl]acetamide?
The InChIKey is ZZBDLGMAYJGKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of N-[(4-iodophenyl)methyl]acetamide?
N-[(4-iodophenyl)methyl]acetamide has a molecular weight of 275.09 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]acetamide is sourced from PubChem (CID 23111624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).