2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

C17H15IN4O2 — CID 55908267

IUPAC2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C17H15IN4O2/c18-14-5-7-15(8-6-14)24-10-17(23)21-16-4-2-1-3-13(16)9-22-12-19-11-20-22/h1-8,11-12H,9-10H2,(H,21,23)
InChIKeyTZYOFFVGJFQIPP-UHFFFAOYSA-N
MW434.24 g/mol
LogP2.95
Rot. Bonds6

About 2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (PubChem CID 55908267) has the molecular formula C17H15IN4O2 and a molecular weight of 434.24 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
PubChem CID55908267
Molecular FormulaC17H15IN4O2
Molecular Weight434.24 g/mol
Exact Mass434.02
IUPAC Name2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C17H15IN4O2/c18-14-5-7-15(8-6-14)24-10-17(23)21-16-4-2-1-3-13(16)9-22-12-19-11-20-22/h1-8,11-12H,9-10H2,(H,21,23)
InChIKeyTZYOFFVGJFQIPP-UHFFFAOYSA-N
XLogP2.95
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55907752
3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 87031833
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55907363
1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-[2-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 146131702
2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55852862
2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 47064609
2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide
CID 89365128
N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzoxazole-2-carboxamide
CID 167957891
N-(2,3-dichlorophenyl)-2-(4-iodophenoxy)acetamide
CID 55325965
N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide
CID 60552699
(2S)-2-methyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 124846633
2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 51121821

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (CID 55908267) is 2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is O=C(COc1ccc(I)cc1)Nc1ccccc1Cn1cncn1.
What is the InChIKey of 2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is TZYOFFVGJFQIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN4O2/c18-14-5-7-15(8-6-14)24-10-17(23)21-16-4-2-1-3-13(16)9-22-12-19-11-20-22/h1-8,11-12H,9-10H2,(H,21,23).
What are the key properties of 2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 434.24 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 55908267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).