[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate

C18H17ClFNO4 — CID 9492356

IUPAC[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)NCc1ccccc1F
InChIInChI=1S/C18H17ClFNO4/c1-12(25-15-8-6-14(19)7-9-15)18(23)24-11-17(22)21-10-13-4-2-3-5-16(13)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyVAVSWYCFNRUSJH-LBPRGKRZSA-N
MW365.79 g/mol
LogP3.11
Rot. Bonds7

About [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate (PubChem CID 9492356) has the molecular formula C18H17ClFNO4 and a molecular weight of 365.79 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
PubChem CID9492356
Molecular FormulaC18H17ClFNO4
Molecular Weight365.79 g/mol
Exact Mass365.08
IUPAC Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)NCc1ccccc1F
InChIInChI=1S/C18H17ClFNO4/c1-12(25-15-8-6-14(19)7-9-15)18(23)24-11-17(22)21-10-13-4-2-3-5-16(13)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyVAVSWYCFNRUSJH-LBPRGKRZSA-N
XLogP3.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate
CID 3253397
N-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenoxy)propanamide
CID 56983513
[2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833703
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984965
(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8571270
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867295
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868039
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984078
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
CID 55525104
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867384
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201290
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 4050676

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate (CID 9492356) is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate is C[C@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)NCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate?
The InChIKey is VAVSWYCFNRUSJH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17ClFNO4/c1-12(25-15-8-6-14(19)7-9-15)18(23)24-11-17(22)21-10-13-4-2-3-5-16(13)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m0/s1.
What are the key properties of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate?
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate has a molecular weight of 365.79 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 9492356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).