2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide

C16H16INO2 — CID 7694493

IUPAC2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)COc1cccc(I)c1)c1ccccc1
InChIInChI=1S/C16H16INO2/c1-12(13-6-3-2-4-7-13)18-16(19)11-20-15-9-5-8-14(17)10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyJATRBSQQNVVTJM-LBPRGKRZSA-N
MW381.21 g/mol
LogP3.55
Rot. Bonds5

About 2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide

2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 7694493) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID7694493
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)COc1cccc(I)c1)c1ccccc1
InChIInChI=1S/C16H16INO2/c1-12(13-6-3-2-4-7-13)18-16(19)11-20-15-9-5-8-14(17)10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyJATRBSQQNVVTJM-LBPRGKRZSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
2-(3,5-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 18165800
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7642640
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282
N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide (CID 7694493) is 2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)COc1cccc(I)c1)c1ccccc1.
What is the InChIKey of 2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is JATRBSQQNVVTJM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16INO2/c1-12(13-6-3-2-4-7-13)18-16(19)11-20-15-9-5-8-14(17)10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 381.21 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 7694493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).