N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide

C11H9FIN3O — CID 79766967

IUPACN-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(F)cc1I
InChIInChI=1S/C11H9FIN3O/c12-8-2-3-10(9(13)6-8)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17)
InChIKeySDYRLMFMIHXJKZ-UHFFFAOYSA-N
MW345.12 g/mol
LogP2.27
Rot. Bonds3

About N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide

N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide (PubChem CID 79766967) has the molecular formula C11H9FIN3O and a molecular weight of 345.12 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide
PubChem CID79766967
Molecular FormulaC11H9FIN3O
Molecular Weight345.12 g/mol
Exact Mass344.98
IUPAC NameN-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(F)cc1I
InChIInChI=1S/C11H9FIN3O/c12-8-2-3-10(9(13)6-8)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17)
InChIKeySDYRLMFMIHXJKZ-UHFFFAOYSA-N
XLogP2.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 52.27
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

N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
CID 79771427
N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide
CID 110690000
N-[2-(difluoromethoxy)phenyl]-2-pyrazol-1-ylacetamide
CID 39723759
2-(4-bromophenyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79765971
N-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide
CID 103274908
4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
CID 79766480
N-(2-phenylphenyl)-2-pyrazol-1-ylacetamide
CID 39723144
N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79766531
N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide
CID 79766038
1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone
CID 21253998
N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
CID 79766482

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide (CID 79766967) is N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide?
The InChIKey is SDYRLMFMIHXJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FIN3O/c12-8-2-3-10(9(13)6-8)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17).
What are the key properties of N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide?
N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide has a molecular weight of 345.12 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 79766967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).