(2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide

C18H20FNO2 — CID 139182422

IUPAC(2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide
SMILESC[C@H](NC(=O)[C@H](F)[C@](C)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20FNO2/c1-13(14-9-5-3-6-10-14)20-17(21)16(19)18(2,22)15-11-7-4-8-12-15/h3-13,16,22H,1-2H3,(H,20,21)/t13-,16-,18+/m0/s1
InChIKeyFPOBROQBDRADQK-QANKJYHBSA-N
MW301.36 g/mol
LogP3.11
Rot. Bonds5

About (2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide

(2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 139182422) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name(2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide
PubChem CID139182422
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide
SMILESC[C@H](NC(=O)[C@H](F)[C@](C)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20FNO2/c1-13(14-9-5-3-6-10-14)20-17(21)16(19)18(2,22)15-11-7-4-8-12-15/h3-13,16,22H,1-2H3,(H,20,21)/t13-,16-,18+/m0/s1
InChIKeyFPOBROQBDRADQK-QANKJYHBSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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US8609678, 4-(1-(4-fluorophenyl)-1-hydroxyethyl)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide [118]
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Benzeneacetamide, N-ethyl-alpha-hydroxy-alpha-phenyl-
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Benzeneacetamide, alpha-hydroxy-N-(1-methylethyl)-alpha-phenyl-
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2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide
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2-hydroxy-2-phenyl-N-(3-phenylpropyl)butanamide
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2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide
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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of (2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide (CID 139182422) is (2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for (2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for (2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide is C[C@H](NC(=O)[C@H](F)[C@](C)(O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is FPOBROQBDRADQK-QANKJYHBSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13(14-9-5-3-6-10-14)20-17(21)16(19)18(2,22)15-11-7-4-8-12-15/h3-13,16,22H,1-2H3,(H,20,21)/t13-,16-,18+/m0/s1.
What are the key properties of (2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide?
(2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 301.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-fluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 139182422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).