N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide

C15H18FNO2 — CID 90574385

IUPACN-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC#CCOc1ccccc1F
InChIInChI=1S/C15H18FNO2/c1-15(2,3)14(18)17-10-6-7-11-19-13-9-5-4-8-12(13)16/h4-5,8-9H,10-11H2,1-3H3,(H,17,18)
InChIKeyZDTDFYYWXXSGGI-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.37
Rot. Bonds3

About N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide

N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide (PubChem CID 90574385) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide
PubChem CID90574385
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC#CCOc1ccccc1F
InChIInChI=1S/C15H18FNO2/c1-15(2,3)14(18)17-10-6-7-11-19-13-9-5-4-8-12(13)16/h4-5,8-9H,10-11H2,1-3H3,(H,17,18)
InChIKeyZDTDFYYWXXSGGI-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[4-(2-fluorophenoxy)but-2-ynyl]butanamide
CID 90574526
N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide
CID 90574329
1-[4-(2-fluorophenoxy)but-2-ynyl]-3-(4-methoxyphenyl)urea
CID 90574611
N-[4-(2-fluorophenoxy)but-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 90574343
N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide
CID 90574583
N-[4-(2-fluorophenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 90574533
N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide
CID 90574335
N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31665805
N-[4-(2-fluorophenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90574577
N-[4-(2-fluorophenoxy)but-2-ynyl]-1-(4-fluorophenyl)methanesulfonamide
CID 90574710
N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90574572
1-fluoro-2-hept-2-ynoxybenzene
CID 90710503

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide (CID 90574385) is N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC#CCOc1ccccc1F.
What is the InChIKey of N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide?
The InChIKey is ZDTDFYYWXXSGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-15(2,3)14(18)17-10-6-7-11-19-13-9-5-4-8-12(13)16/h4-5,8-9H,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide?
N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide has a molecular weight of 263.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 90574385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).