N-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C19H20F3NO2 — CID 98787278

IUPACN-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C19H20F3NO2/c20-19(21,22)16-9-6-14(7-10-16)8-11-18(25)23-13-17(24)12-15-4-2-1-3-5-15/h1-7,9-10,17,24H,8,11-13H2,(H,23,25)/t17-/m0/s1
InChIKeyULXVONGJMSNWKR-KRWDZBQOSA-N
MW351.37 g/mol
LogP3.36
Rot. Bonds7

About N-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 98787278) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID98787278
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C19H20F3NO2/c20-19(21,22)16-9-6-14(7-10-16)8-11-18(25)23-13-17(24)12-15-4-2-1-3-5-15/h1-7,9-10,17,24H,8,11-13H2,(H,23,25)/t17-/m0/s1
InChIKeyULXVONGJMSNWKR-KRWDZBQOSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 98787278) is N-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ULXVONGJMSNWKR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20F3NO2/c20-19(21,22)16-9-6-14(7-10-16)8-11-18(25)23-13-17(24)12-15-4-2-1-3-5-15/h1-7,9-10,17,24H,8,11-13H2,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 351.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 98787278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).