(2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide

C17H16INO3 — CID 1222649

IUPAC(2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(I)cc2)cc1
InChIInChI=1S/C17H16INO3/c1-11(20)13-3-7-15(8-4-13)19-17(21)12(2)22-16-9-5-14(18)6-10-16/h3-10,12H,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyDVYJOORNZSLWIY-GFCCVEGCSA-N
MW409.22 g/mol
LogP3.90
Rot. Bonds5

About (2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide

(2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide (PubChem CID 1222649) has the molecular formula C17H16INO3 and a molecular weight of 409.22 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide
PubChem CID1222649
Molecular FormulaC17H16INO3
Molecular Weight409.22 g/mol
Exact Mass409.02
IUPAC Name(2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(I)cc2)cc1
InChIInChI=1S/C17H16INO3/c1-11(20)13-3-7-15(8-4-13)19-17(21)12(2)22-16-9-5-14(18)6-10-16/h3-10,12H,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyDVYJOORNZSLWIY-GFCCVEGCSA-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

(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2952531
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266489
(2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide
CID 26517522
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 2505187
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4884528
(2R)-2-(4-acetylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7763890
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103
2-(4-acetylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638155
2-(4-acetylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4879204
N-(4-acetylphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203966

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide (CID 1222649) is (2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide is CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(I)cc2)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide?
The InChIKey is DVYJOORNZSLWIY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16INO3/c1-11(20)13-3-7-15(8-4-13)19-17(21)12(2)22-16-9-5-14(18)6-10-16/h3-10,12H,1-2H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide?
(2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)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 (2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide is sourced from PubChem (CID 1222649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).