N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide

C17H16F3NO2 — CID 99780548

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide
SMILESO=C(Cc1cc(F)c(F)cc1F)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C17H16F3NO2/c18-14-9-16(20)15(19)7-12(14)8-17(23)21-13(10-22)6-11-4-2-1-3-5-11/h1-5,7,9,13,22H,6,8,10H2,(H,21,23)/t13-/m1/s1
InChIKeyMQDNGAJDAZALPU-CYBMUJFWSA-N
MW323.31 g/mol
LogP2.37
Rot. Bonds6

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide (PubChem CID 99780548) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide
PubChem CID99780548
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide
SMILESO=C(Cc1cc(F)c(F)cc1F)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C17H16F3NO2/c18-14-9-16(20)15(19)7-12(14)8-17(23)21-13(10-22)6-11-4-2-1-3-5-11/h1-5,7,9,13,22H,6,8,10H2,(H,21,23)/t13-/m1/s1
InChIKeyMQDNGAJDAZALPU-CYBMUJFWSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-(1-hydroxy-3-phenylpropan-2-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 109387993
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 95040090
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide
CID 118197578
3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 82877236
3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 110935609
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide (CID 99780548) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide is O=C(Cc1cc(F)c(F)cc1F)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide?
The InChIKey is MQDNGAJDAZALPU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-14-9-16(20)15(19)7-12(14)8-17(23)21-13(10-22)6-11-4-2-1-3-5-11/h1-5,7,9,13,22H,6,8,10H2,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide has a molecular weight of 323.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 99780548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).