2-(3-fluorophenoxy)-N-propan-2-ylacetamide

C11H14FNO2 — CID 60626005

IUPAC2-(3-fluorophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-8(2)13-11(14)7-15-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyOKLXRCSUJRLEJR-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.73
Rot. Bonds4

About 2-(3-fluorophenoxy)-N-propan-2-ylacetamide

2-(3-fluorophenoxy)-N-propan-2-ylacetamide (PubChem CID 60626005) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-propan-2-ylacetamide
PubChem CID60626005
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(3-fluorophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-8(2)13-11(14)7-15-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyOKLXRCSUJRLEJR-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252060
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444
2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467655
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 114078973
(2S)-2-[[2-(3-fluorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 114004878
2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62478241
2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 47013000
4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822394
N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide
CID 8802046
N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide
CID 47011877

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-propan-2-ylacetamide (CID 60626005) is 2-(3-fluorophenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-propan-2-ylacetamide is CC(C)NC(=O)COc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-propan-2-ylacetamide?
The InChIKey is OKLXRCSUJRLEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(2)13-11(14)7-15-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-fluorophenoxy)-N-propan-2-ylacetamide?
2-(3-fluorophenoxy)-N-propan-2-ylacetamide has a molecular weight of 211.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 60626005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).