N-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide

C11H14FIN2O — CID 138479583

IUPACN-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide
SMILESCN(I)CC(=O)NCc1ccc(CF)cc1
InChIInChI=1S/C11H14FIN2O/c1-15(13)8-11(16)14-7-10-4-2-9(6-12)3-5-10/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyLWGHBSBDISYDQG-UHFFFAOYSA-N
MW336.15 g/mol
LogP2.05
Rot. Bonds5

About N-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide

N-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide (PubChem CID 138479583) has the molecular formula C11H14FIN2O and a molecular weight of 336.15 g/mol. Its IUPAC name is N-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide
PubChem CID138479583
Molecular FormulaC11H14FIN2O
Molecular Weight336.15 g/mol
Exact Mass336.01
IUPAC NameN-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide
SMILESCN(I)CC(=O)NCc1ccc(CF)cc1
InChIInChI=1S/C11H14FIN2O/c1-15(13)8-11(16)14-7-10-4-2-9(6-12)3-5-10/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyLWGHBSBDISYDQG-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide?
The IUPAC name of N-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide (CID 138479583) is N-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide.
What is the SMILES notation for N-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide?
The canonical SMILES for N-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide is CN(I)CC(=O)NCc1ccc(CF)cc1.
What is the InChIKey of N-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide?
The InChIKey is LWGHBSBDISYDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FIN2O/c1-15(13)8-11(16)14-7-10-4-2-9(6-12)3-5-10/h2-5H,6-8H2,1H3,(H,14,16).
What are the key properties of N-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide?
N-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide has a molecular weight of 336.15 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(fluoromethyl)phenyl]methyl]-2-[iodo(methyl)amino]acetamide is sourced from PubChem (CID 138479583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).