[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate

C19H19ClFNO3 — CID 8579168

IUPAC[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
SMILESC[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H19ClFNO3/c1-13(25-18(23)12-15-2-6-16(20)7-3-15)19(24)22-11-10-14-4-8-17(21)9-5-14/h2-9,13H,10-12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyZCXDPBHHAMOZPM-ZDUSSCGKSA-N
MW363.82 g/mol
LogP3.31
Rot. Bonds7

About [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate

[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate (PubChem CID 8579168) has the molecular formula C19H19ClFNO3 and a molecular weight of 363.82 g/mol. Its IUPAC name is [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
PubChem CID8579168
Molecular FormulaC19H19ClFNO3
Molecular Weight363.82 g/mol
Exact Mass363.10
IUPAC Name[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
SMILESC[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H19ClFNO3/c1-13(25-18(23)12-15-2-6-16(20)7-3-15)19(24)22-11-10-14-4-8-17(21)9-5-14/h2-9,13H,10-12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyZCXDPBHHAMOZPM-ZDUSSCGKSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate (CID 8579168) is [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate is C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate?
The InChIKey is ZCXDPBHHAMOZPM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClFNO3/c1-13(25-18(23)12-15-2-6-16(20)7-3-15)19(24)22-11-10-14-4-8-17(21)9-5-14/h2-9,13H,10-12H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate?
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate has a molecular weight of 363.82 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 8579168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).