2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide

C19H20FNO4 — CID 7795155

IUPAC2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO4/c1-13(11-24-2)21-18(22)12-25-17-9-5-15(6-10-17)19(23)14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyXLSHKTAPDYDIBS-CYBMUJFWSA-N
MW345.37 g/mol
LogP2.59
Rot. Bonds8

About 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide

2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide (PubChem CID 7795155) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
PubChem CID7795155
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO4/c1-13(11-24-2)21-18(22)12-25-17-9-5-15(6-10-17)19(23)14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyXLSHKTAPDYDIBS-CYBMUJFWSA-N
XLogP2.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
CID 7382360
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
CID 51139849
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 84603980
N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495334
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62480729
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 46685975
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide (CID 7795155) is 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide is COC[C@@H](C)NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The InChIKey is XLSHKTAPDYDIBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-13(11-24-2)21-18(22)12-25-17-9-5-15(6-10-17)19(23)14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 7795155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).