2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide

C13H18FNO2 — CID 47001155

IUPAC2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-4-13(2,3)15-12(16)9-17-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyHNGNFRVPPAEXPF-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.51
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide

2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 47001155) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
PubChem CID47001155
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-4-13(2,3)15-12(16)9-17-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyHNGNFRVPPAEXPF-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide
CID 115282956
N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 9012174
N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide
CID 61486165
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531
N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide
CID 66525538
5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79794697
N-(4-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093193
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63366201
2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60671142
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63066536
N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 43390489

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide (CID 47001155) is 2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is HNGNFRVPPAEXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-13(2,3)15-12(16)9-17-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide?
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 239.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 47001155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).