[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate

C16H13ClFNO4 — CID 41332901

IUPAC[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)O[C@@H](C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFNO4/c1-22-13-7-4-10(17)8-12(13)16(21)23-14(15(19)20)9-2-5-11(18)6-3-9/h2-8,14H,1H3,(H2,19,20)/t14-/m1/s1
InChIKeyIXAYJUXURCBOKL-CQSZACIVSA-N
MW337.73 g/mol
LogP2.87
Rot. Bonds5

About [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate

[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate (PubChem CID 41332901) has the molecular formula C16H13ClFNO4 and a molecular weight of 337.73 g/mol. Its IUPAC name is [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate
PubChem CID41332901
Molecular FormulaC16H13ClFNO4
Molecular Weight337.73 g/mol
Exact Mass337.05
IUPAC Name[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)O[C@@H](C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFNO4/c1-22-13-7-4-10(17)8-12(13)16(21)23-14(15(19)20)9-2-5-11(18)6-3-9/h2-8,14H,1H3,(H2,19,20)/t14-/m1/s1
InChIKeyIXAYJUXURCBOKL-CQSZACIVSA-N
XLogP2.87
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.73
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7582295
[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate
CID 41332962
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 8738446
[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 8738422
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 8738420
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-methoxybenzoate
CID 3276868
2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide
CID 167967578
(2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate
CID 18138363
2-bromo-2-chloro-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116863835
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-one
CID 104544879
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7486928

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The IUPAC name of [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate (CID 41332901) is [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate.
What is the SMILES notation for [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The canonical SMILES for [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)O[C@@H](C(N)=O)c1ccc(F)cc1.
What is the InChIKey of [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The InChIKey is IXAYJUXURCBOKL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13ClFNO4/c1-22-13-7-4-10(17)8-12(13)16(21)23-14(15(19)20)9-2-5-11(18)6-3-9/h2-8,14H,1H3,(H2,19,20)/t14-/m1/s1.
What are the key properties of [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate has a molecular weight of 337.73 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 41332901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).