(2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide

C25H25FN2O3 — CID 118987010

IUPAC(2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C25H25FN2O3/c1-17(20-7-3-2-4-8-20)27-25(31)23(15-18-10-12-21(26)13-11-18)28-24(30)16-19-6-5-9-22(29)14-19/h2-14,17,23,29H,15-16H2,1H3,(H,27,31)(H,28,30)/t17-,23-/m0/s1
InChIKeyFYIWCUFRBHMEBW-SBUREZEXSA-N
MW420.48 g/mol
LogP3.68
Rot. Bonds8

About (2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide

(2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 118987010) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is (2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide
PubChem CID118987010
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name(2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C25H25FN2O3/c1-17(20-7-3-2-4-8-20)27-25(31)23(15-18-10-12-21(26)13-11-18)28-24(30)16-19-6-5-9-22(29)14-19/h2-14,17,23,29H,15-16H2,1H3,(H,27,31)(H,28,30)/t17-,23-/m0/s1
InChIKeyFYIWCUFRBHMEBW-SBUREZEXSA-N
XLogP3.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of (2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide (CID 118987010) is (2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1cccc(O)c1)c1ccccc1.
What is the InChIKey of (2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is FYIWCUFRBHMEBW-SBUREZEXSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-17(20-7-3-2-4-8-20)27-25(31)23(15-18-10-12-21(26)13-11-18)28-24(30)16-19-6-5-9-22(29)14-19/h2-14,17,23,29H,15-16H2,1H3,(H,27,31)(H,28,30)/t17-,23-/m0/s1.
What are the key properties of (2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide?
(2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 420.48 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-fluorophenyl)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 118987010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).