2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide

C20H22FNO3 — CID 7382360

IUPAC2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FNO3/c1-3-4-14(2)22-19(23)13-25-18-11-7-16(8-12-18)20(24)15-5-9-17(21)10-6-15/h5-12,14H,3-4,13H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyHYLZXLIFASUSKZ-AWEZNQCLSA-N
MW343.40 g/mol
LogP3.74
Rot. Bonds8

About 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide

2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide (PubChem CID 7382360) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
PubChem CID7382360
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FNO3/c1-3-4-14(2)22-19(23)13-25-18-11-7-16(8-12-18)20(24)15-5-9-17(21)10-6-15/h5-12,14H,3-4,13H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyHYLZXLIFASUSKZ-AWEZNQCLSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7795155
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide
CID 61489836
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 98305688
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633
(4-carbamimidoylphenyl) 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoate
CID 21130044
N-(1,3-dihydroxypropan-2-yl)-2-(4-fluorophenoxy)acetamide
CID 65315333
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 43214241

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide (CID 7382360) is 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide is CCC[C@H](C)NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide?
The InChIKey is HYLZXLIFASUSKZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-3-4-14(2)22-19(23)13-25-18-11-7-16(8-12-18)20(24)15-5-9-17(21)10-6-15/h5-12,14H,3-4,13H2,1-2H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide?
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide has a molecular weight of 343.40 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide is sourced from PubChem (CID 7382360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).