(2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide

C17H16INO3 — CID 26517522

IUPAC(2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide
SMILESCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(I)c2)cc1
InChIInChI=1S/C17H16INO3/c1-11(20)13-6-8-16(9-7-13)22-12(2)17(21)19-15-5-3-4-14(18)10-15/h3-10,12H,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyMGDDYBGVOACWDI-LBPRGKRZSA-N
MW409.22 g/mol
LogP3.90
Rot. Bonds5

About (2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide

(2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide (PubChem CID 26517522) has the molecular formula C17H16INO3 and a molecular weight of 409.22 g/mol. Its IUPAC name is (2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide
PubChem CID26517522
Molecular FormulaC17H16INO3
Molecular Weight409.22 g/mol
Exact Mass409.02
IUPAC Name(2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide
SMILESCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(I)c2)cc1
InChIInChI=1S/C17H16INO3/c1-11(20)13-6-8-16(9-7-13)22-12(2)17(21)19-15-5-3-4-14(18)10-15/h3-10,12H,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyMGDDYBGVOACWDI-LBPRGKRZSA-N
XLogP3.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide
CID 1222649
methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate
CID 17413178
methyl N-[4-[1-(3-iodoanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
CID 60522538
2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
CID 78675814
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
N-(3-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 17171686
(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632124
N-(4-acetylphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203966
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
(2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 51906069

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide?
The IUPAC name of (2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide (CID 26517522) is (2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide is CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(I)c2)cc1.
What is the InChIKey of (2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide?
The InChIKey is MGDDYBGVOACWDI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16INO3/c1-11(20)13-6-8-16(9-7-13)22-12(2)17(21)19-15-5-3-4-14(18)10-15/h3-10,12H,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide?
(2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide has a molecular weight of 409.22 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide is sourced from PubChem (CID 26517522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).