[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate

C19H18FNO5 — CID 31221524

IUPAC[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate
SMILESCOc1ccc(F)cc1C(=O)O[C@H](C)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H18FNO5/c1-11(18(23)13-4-7-15(8-5-13)21-12(2)22)26-19(24)16-10-14(20)6-9-17(16)25-3/h4-11H,1-3H3,(H,21,22)/t11-/m1/s1
InChIKeyZDUKSKFIAFRWHF-LLVKDONJSA-N
MW359.35 g/mol
LogP3.22
Rot. Bonds6

About [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate

[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate (PubChem CID 31221524) has the molecular formula C19H18FNO5 and a molecular weight of 359.35 g/mol. Its IUPAC name is [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate
PubChem CID31221524
Molecular FormulaC19H18FNO5
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate
SMILESCOc1ccc(F)cc1C(=O)O[C@H](C)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H18FNO5/c1-11(18(23)13-4-7-15(8-5-13)21-12(2)22)26-19(24)16-10-14(20)6-9-17(16)25-3/h4-11H,1-3H3,(H,21,22)/t11-/m1/s1
InChIKeyZDUKSKFIAFRWHF-LLVKDONJSA-N
XLogP3.22
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7582295
[1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-methoxy-5-methylbenzoate
CID 55402603
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 882656
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7581899
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7561181
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949828
[1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 55358131
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 2099281
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
CID 7810802
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3,4-trimethoxybenzoate
CID 8611125
[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7235628

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate?
The IUPAC name of [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate (CID 31221524) is [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate.
What is the SMILES notation for [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate?
The canonical SMILES for [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate is COc1ccc(F)cc1C(=O)O[C@H](C)C(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate?
The InChIKey is ZDUKSKFIAFRWHF-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18FNO5/c1-11(18(23)13-4-7-15(8-5-13)21-12(2)22)26-19(24)16-10-14(20)6-9-17(16)25-3/h4-11H,1-3H3,(H,21,22)/t11-/m1/s1.
What are the key properties of [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate?
[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate has a molecular weight of 359.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate is sourced from PubChem (CID 31221524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).