[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate

C17H16FNO4 — CID 7864189

IUPAC[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
SMILESCOc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2F)c1
InChIInChI=1S/C17H16FNO4/c1-11(23-17(21)14-8-3-4-9-15(14)18)16(20)19-12-6-5-7-13(10-12)22-2/h3-11H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyRLLQZRVYRYMERV-LLVKDONJSA-N
MW317.32 g/mol
LogP3.02
Rot. Bonds5

About [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate

[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate (PubChem CID 7864189) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate.

Molecular Properties

Compound Name[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
PubChem CID7864189
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
SMILESCOc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2F)c1
InChIInChI=1S/C17H16FNO4/c1-11(23-17(21)14-8-3-4-9-15(14)18)16(20)19-12-6-5-7-13(10-12)22-2/h3-11H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyRLLQZRVYRYMERV-LLVKDONJSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8526474
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508657
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 8707182
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927126
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508676
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8612332
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 5-chloro-2-hydroxybenzoate
CID 8604191
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 8878303
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7490933
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2-O-[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505644
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate
CID 8014213

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate?
The IUPAC name of [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate (CID 7864189) is [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate.
What is the SMILES notation for [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate?
The canonical SMILES for [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate is COc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2F)c1.
What is the InChIKey of [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate?
The InChIKey is RLLQZRVYRYMERV-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-11(23-17(21)14-8-3-4-9-15(14)18)16(20)19-12-6-5-7-13(10-12)22-2/h3-11H,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate?
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate has a molecular weight of 317.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate is sourced from PubChem (CID 7864189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).