(2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide

C23H30FNO2 — CID 68873088

IUPAC(2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide
SMILESCC(C)(C)CC[C@@](C)(C(=O)N[C@@H](CO)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H30FNO2/c1-22(2,3)14-15-23(4,18-10-12-19(24)13-11-18)21(27)25-20(16-26)17-8-6-5-7-9-17/h5-13,20,26H,14-16H2,1-4H3,(H,25,27)/t20-,23+/m0/s1
InChIKeyDSUCUCKKUWDBSD-NZQKXSOJSA-N
MW371.50 g/mol
LogP4.76
Rot. Bonds7

About (2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide

(2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide (PubChem CID 68873088) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide
PubChem CID68873088
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name(2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide
SMILESCC(C)(C)CC[C@@](C)(C(=O)N[C@@H](CO)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H30FNO2/c1-22(2,3)14-15-23(4,18-10-12-19(24)13-11-18)21(27)25-20(16-26)17-8-6-5-7-9-17/h5-13,20,26H,14-16H2,1-4H3,(H,25,27)/t20-,23+/m0/s1
InChIKeyDSUCUCKKUWDBSD-NZQKXSOJSA-N
XLogP4.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide
CID 25259507
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
2-ethoxy-N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 131951394
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
(2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride
CID 87607227
2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide
CID 79812629
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide
CID 139254557
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 107862713
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide (CID 68873088) is (2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide is CC(C)(C)CC[C@@](C)(C(=O)N[C@@H](CO)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide?
The InChIKey is DSUCUCKKUWDBSD-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H30FNO2/c1-22(2,3)14-15-23(4,18-10-12-19(24)13-11-18)21(27)25-20(16-26)17-8-6-5-7-9-17/h5-13,20,26H,14-16H2,1-4H3,(H,25,27)/t20-,23+/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide?
(2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide has a molecular weight of 371.50 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide is sourced from PubChem (CID 68873088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).