2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide

C12H16FNO4 — CID 114078973

IUPAC2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
SMILESCOCC(CO)NC(=O)COc1cccc(F)c1
InChIInChI=1S/C12H16FNO4/c1-17-7-10(6-15)14-12(16)8-18-11-4-2-3-9(13)5-11/h2-5,10,15H,6-8H2,1H3,(H,14,16)
InChIKeyNGQVDFCRTAHPRX-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.33
Rot. Bonds7

About 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide

2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide (PubChem CID 114078973) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
PubChem CID114078973
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
SMILESCOCC(CO)NC(=O)COc1cccc(F)c1
InChIInChI=1S/C12H16FNO4/c1-17-7-10(6-15)14-12(16)8-18-11-4-2-3-9(13)5-11/h2-5,10,15H,6-8H2,1H3,(H,14,16)
InChIKeyNGQVDFCRTAHPRX-UHFFFAOYSA-N
XLogP0.33
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252060
2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62478241
(2S)-2-[[2-(3-fluorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 114004878
2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide
CID 166254452
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444
2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467655
N-(1,3-dihydroxypropan-2-yl)-2-(4-fluorophenoxy)acetamide
CID 65315333
2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 114079004
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
CID 110901665

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide (CID 114078973) is 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide is COCC(CO)NC(=O)COc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
The InChIKey is NGQVDFCRTAHPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-17-7-10(6-15)14-12(16)8-18-11-4-2-3-9(13)5-11/h2-5,10,15H,6-8H2,1H3,(H,14,16).
What are the key properties of 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide has a molecular weight of 257.26 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 114078973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).