2-iodo-N-(2-phenylpropyl)acetamide

C11H14INO — CID 64787373

IUPAC2-iodo-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CI)c1ccccc1
InChIInChI=1S/C11H14INO/c1-9(8-13-11(14)7-12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)
InChIKeyFXEMPQDGNPVVNX-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.34
Rot. Bonds4

About 2-iodo-N-(2-phenylpropyl)acetamide

2-iodo-N-(2-phenylpropyl)acetamide (PubChem CID 64787373) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 2-iodo-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-iodo-N-(2-phenylpropyl)acetamide
PubChem CID64787373
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name2-iodo-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CI)c1ccccc1
InChIInChI=1S/C11H14INO/c1-9(8-13-11(14)7-12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)
InChIKeyFXEMPQDGNPVVNX-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427
2-(azetidin-3-yl)-N-(2-phenylpropyl)acetamide
CID 64611219
(2R)-2-[2-oxo-2-(2-phenylpropylamino)ethoxy]propanoic acid
CID 104875498
3-(ethylamino)-N-(2-phenylpropyl)butanamide
CID 62839621
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylpropyl)acetamide
CID 112605060
4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
CID 175348879
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-iodo-N-(2-phenylpropyl)acetamide (CID 64787373) is 2-iodo-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-iodo-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-iodo-N-(2-phenylpropyl)acetamide is CC(CNC(=O)CI)c1ccccc1.
What is the InChIKey of 2-iodo-N-(2-phenylpropyl)acetamide?
The InChIKey is FXEMPQDGNPVVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c1-9(8-13-11(14)7-12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14).
What are the key properties of 2-iodo-N-(2-phenylpropyl)acetamide?
2-iodo-N-(2-phenylpropyl)acetamide has a molecular weight of 303.14 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 64787373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).