[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate

C19H20FNO3 — CID 7227476

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
SMILESC[C@H](CC(=O)OCC(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H20FNO3/c1-14(16-5-3-2-4-6-16)11-19(23)24-13-18(22)21-12-15-7-9-17(20)10-8-15/h2-10,14H,11-13H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyREJZBFQARAYPRZ-CQSZACIVSA-N
MW329.37 g/mol
LogP3.18
Rot. Bonds7

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate (PubChem CID 7227476) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
PubChem CID7227476
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
SMILESC[C@H](CC(=O)OCC(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H20FNO3/c1-14(16-5-3-2-4-6-16)11-19(23)24-13-18(22)21-12-15-7-9-17(20)10-8-15/h2-10,14H,11-13H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyREJZBFQARAYPRZ-CQSZACIVSA-N
XLogP3.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7266159
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606177
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185613
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2608364
[2-(2-cyanoethylamino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7265779
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110648100
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828492
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616755

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate (CID 7227476) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate is C[C@H](CC(=O)OCC(=O)NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate?
The InChIKey is REJZBFQARAYPRZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-14(16-5-3-2-4-6-16)11-19(23)24-13-18(22)21-12-15-7-9-17(20)10-8-15/h2-10,14H,11-13H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate has a molecular weight of 329.37 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate is sourced from PubChem (CID 7227476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).