N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide

C16H16INO3 — CID 102457343

IUPACN-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
InChIInChI=1S/C16H16INO3/c1-11(19)18-9-8-12-2-7-16(15(17)10-12)21-14-5-3-13(20)4-6-14/h2-7,10,20H,8-9H2,1H3,(H,18,19)
InChIKeyRXVVKZYTVSAWAJ-UHFFFAOYSA-N
MW397.21 g/mol
LogP3.47
Rot. Bonds5

About N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide

N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide (PubChem CID 102457343) has the molecular formula C16H16INO3 and a molecular weight of 397.21 g/mol. Its IUPAC name is N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide
PubChem CID102457343
Molecular FormulaC16H16INO3
Molecular Weight397.21 g/mol
Exact Mass397.02
IUPAC NameN-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
InChIInChI=1S/C16H16INO3/c1-11(19)18-9-8-12-2-7-16(15(17)10-12)21-14-5-3-13(20)4-6-14/h2-7,10,20H,8-9H2,1H3,(H,18,19)
InChIKeyRXVVKZYTVSAWAJ-UHFFFAOYSA-N
XLogP3.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride
CID 11689968
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide
CID 127256924
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
4-[4-[2-(methylamino)ethyl]phenoxy]phenol
CID 11514269
methyl 2-[3-iodo-4-[4-(methoxymethoxy)phenoxy]phenyl]acetate
CID 11568117
N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 110788935
N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide
CID 11026837
N-[2-[6-[4-(cyclopropylmethoxy)phenoxy]naphthalen-2-yl]ethyl]acetamide
CID 68760132
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
[4-(2-acetamidoethyl)phenyl] dihydrogen phosphate
CID 56630055

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide (CID 102457343) is N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide is CC(=O)NCCc1ccc(Oc2ccc(O)cc2)c(I)c1.
What is the InChIKey of N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide?
The InChIKey is RXVVKZYTVSAWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO3/c1-11(19)18-9-8-12-2-7-16(15(17)10-12)21-14-5-3-13(20)4-6-14/h2-7,10,20H,8-9H2,1H3,(H,18,19).
What are the key properties of N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide?
N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide has a molecular weight of 397.21 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide is sourced from PubChem (CID 102457343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).