[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

C23H20FNO5 — CID 8578902

IUPAC[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESC[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H20FNO5/c1-15(21(26)17-9-11-18(24)12-10-17)30-23(28)19(14-16-6-3-2-4-7-16)25-22(27)20-8-5-13-29-20/h2-13,15,19H,14H2,1H3,(H,25,27)/t15-,19-/m0/s1
InChIKeySZTGBLWYZPTBQD-KXBFYZLASA-N
MW409.41 g/mol
LogP3.57
Rot. Bonds8

About [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 8578902) has the molecular formula C23H20FNO5 and a molecular weight of 409.41 g/mol. Its IUPAC name is [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID8578902
Molecular FormulaC23H20FNO5
Molecular Weight409.41 g/mol
Exact Mass409.13
IUPAC Name[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESC[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H20FNO5/c1-15(21(26)17-9-11-18(24)12-10-17)30-23(28)19(14-16-6-3-2-4-7-16)25-22(27)20-8-5-13-29-20/h2-13,15,19H,14H2,1H3,(H,25,27)/t15-,19-/m0/s1
InChIKeySZTGBLWYZPTBQD-KXBFYZLASA-N
XLogP3.57
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate with MolForge

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Related Compounds

ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate
CID 66813442
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578883
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578880
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567083
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2449059
[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55936409
(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78761330
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 127025927

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 8578902) is [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is C[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)C(=O)c1ccc(F)cc1.
What is the InChIKey of [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is SZTGBLWYZPTBQD-KXBFYZLASA-N. The full InChI is InChI=1S/C23H20FNO5/c1-15(21(26)17-9-11-18(24)12-10-17)30-23(28)19(14-16-6-3-2-4-7-16)25-22(27)20-8-5-13-29-20/h2-13,15,19H,14H2,1H3,(H,25,27)/t15-,19-/m0/s1.
What are the key properties of [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 409.41 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 8578902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).