N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide

C25H25FN2O3 — CID 156695006

IUPACN-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
SMILESO=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H25FN2O3/c26-21-13-11-19(12-14-21)16-23(28-24(30)20-9-5-2-6-10-20)25(31)27-22(17-29)15-18-7-3-1-4-8-18/h1-14,22-23,29H,15-17H2,(H,27,31)(H,28,30)/t22-,23-/m0/s1
InChIKeyMEVUFNRNBFZLHO-GOTSBHOMSA-N
MW420.48 g/mol
LogP2.89
Rot. Bonds9

About N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide

N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 156695006) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID156695006
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC NameN-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
SMILESO=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H25FN2O3/c26-21-13-11-19(12-14-21)16-23(28-24(30)20-9-5-2-6-10-20)25(31)27-22(17-29)15-18-7-3-1-4-8-18/h1-14,22-23,29H,15-17H2,(H,27,31)(H,28,30)/t22-,23-/m0/s1
InChIKeyMEVUFNRNBFZLHO-GOTSBHOMSA-N
XLogP2.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 173129608
[(2S)-2-[[(2S)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]-3-(4-fluorophenyl)propyl] acetate
CID 156695003
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806
(2S)-2-[[(2R)-2-[[(2S)-2-[(4-(18F)fluorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
CID 56643483
(2R)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate
CID 2282482
(2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate
CID 2282480
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
(2S)-2-[[(2S)-3-(4-fluorophenyl)-2-[(4-formylbenzoyl)amino]propanoyl]amino]-3-phenylpropanoic acid
CID 177498272
N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 74956431
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide (CID 156695006) is N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide is O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is MEVUFNRNBFZLHO-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H25FN2O3/c26-21-13-11-19(12-14-21)16-23(28-24(30)20-9-5-2-6-10-20)25(31)27-22(17-29)15-18-7-3-1-4-8-18/h1-14,22-23,29H,15-17H2,(H,27,31)(H,28,30)/t22-,23-/m0/s1.
What are the key properties of N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide?
N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 420.48 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 156695006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).