[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate

C15H11ClFNO3 — CID 41332962

IUPAC[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate
SMILESNC(=O)[C@H](OC(=O)c1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H11ClFNO3/c16-11-3-1-2-10(8-11)15(20)21-13(14(18)19)9-4-6-12(17)7-5-9/h1-8,13H,(H2,18,19)/t13-/m1/s1
InChIKeyZIXWQYQLEAJFGU-CYBMUJFWSA-N
MW307.71 g/mol
LogP2.86
Rot. Bonds4

About [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate

[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate (PubChem CID 41332962) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate.

Molecular Properties

Compound Name[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate
PubChem CID41332962
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate
SMILESNC(=O)[C@H](OC(=O)c1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H11ClFNO3/c16-11-3-1-2-10(8-11)15(20)21-13(14(18)19)9-4-6-12(17)7-5-9/h1-8,13H,(H2,18,19)/t13-/m1/s1
InChIKeyZIXWQYQLEAJFGU-CYBMUJFWSA-N
XLogP2.86
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 41332901
bis[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] benzene-1,3-dicarboxylate
CID 126186651
3-chlorobenzenecarboperoxoic acid;methanamine
CID 172721776
azane;3-chlorobenzenecarboperoxoic acid
CID 86637115
[(1S)-1-(4-fluorophenyl)-2-oxo-2-propan-2-yloxyethyl] benzoate
CID 177399488
[(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate
CID 132540788
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
CID 7697298
[(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate
CID 94103638
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 46790569
(2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate
CID 18138363
[(2S)-1-amino-1-oxopropan-2-yl] 3-fluorobenzoate
CID 2523873
4-methylpentan-2-yl 3-chlorobenzoate
CID 91716229

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate?
The IUPAC name of [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate (CID 41332962) is [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate.
What is the SMILES notation for [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate?
The canonical SMILES for [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate is NC(=O)[C@H](OC(=O)c1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate?
The InChIKey is ZIXWQYQLEAJFGU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c16-11-3-1-2-10(8-11)15(20)21-13(14(18)19)9-4-6-12(17)7-5-9/h1-8,13H,(H2,18,19)/t13-/m1/s1.
What are the key properties of [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate?
[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate has a molecular weight of 307.71 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate is sourced from PubChem (CID 41332962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).