2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide

C17H18FIN2O2 — CID 153337678

IUPAC2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NI)ccn1
InChIInChI=1S/C17H18FIN2O2/c1-10(2)13-7-12(18)8-14(15(13)9-16(22)21-19)11-4-5-20-17(6-11)23-3/h4-8,10H,9H2,1-3H3,(H,21,22)
InChIKeyUUPOEJAYERJURU-UHFFFAOYSA-N
MW428.25 g/mol
LogP4.03
Rot. Bonds5

About 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide

2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide (PubChem CID 153337678) has the molecular formula C17H18FIN2O2 and a molecular weight of 428.25 g/mol. Its IUPAC name is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide
PubChem CID153337678
Molecular FormulaC17H18FIN2O2
Molecular Weight428.25 g/mol
Exact Mass428.04
IUPAC Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NI)ccn1
InChIInChI=1S/C17H18FIN2O2/c1-10(2)13-7-12(18)8-14(15(13)9-16(22)21-19)11-4-5-20-17(6-11)23-3/h4-8,10H,9H2,1-3H3,(H,21,22)
InChIKeyUUPOEJAYERJURU-UHFFFAOYSA-N
XLogP4.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.25
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide?
The IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide (CID 153337678) is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide.
What is the SMILES notation for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide?
The canonical SMILES for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NI)ccn1.
What is the InChIKey of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide?
The InChIKey is UUPOEJAYERJURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FIN2O2/c1-10(2)13-7-12(18)8-14(15(13)9-16(22)21-19)11-4-5-20-17(6-11)23-3/h4-8,10H,9H2,1-3H3,(H,21,22).
What are the key properties of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide?
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide has a molecular weight of 428.25 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-iodoacetamide is sourced from PubChem (CID 153337678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).