(3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide

C19H21F2NO2 — CID 57381744

IUPAC(3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide
SMILESCC[C@@](O)(c1ccccc1)C(F)(F)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H21F2NO2/c1-3-18(24,16-12-8-5-9-13-16)19(20,21)17(23)22-14(2)15-10-6-4-7-11-15/h4-14,24H,3H2,1-2H3,(H,22,23)/t14-,18+/m0/s1
InChIKeySVNBSMUDKBZJKF-KBXCAEBGSA-N
MW333.38 g/mol
LogP3.80
Rot. Bonds6

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

(3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide (PubChem CID 57381744) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide.

Molecular Properties

Compound Name(3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide
PubChem CID57381744
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Name(3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide
SMILESCC[C@@](O)(c1ccccc1)C(F)(F)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H21F2NO2/c1-3-18(24,16-12-8-5-9-13-16)19(20,21)17(23)22-14(2)15-10-6-4-7-11-15/h4-14,24H,3H2,1-2H3,(H,22,23)/t14-,18+/m0/s1
InChIKeySVNBSMUDKBZJKF-KBXCAEBGSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-methyl-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10503358
2-(3,3-Difluoro-cyclopentyl)-N-[1-(3-fluoro-benzyl)-piperidin-4-yl]-2-hydroxy-2-phenyl-acetamide
CID 10551354
N-(1-Benzyl-piperidin-4-yl)-2-(3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 10812455
(S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-Nethylbenzamide
CID 24895553
N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11610826
(R)-N-(4-Aminomethyl-cyclohexyl)-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 44308809
Benzeneacetamide, N-ethyl-alpha-hydroxy-alpha-phenyl-
CID 202245
Benzeneacetamide, alpha-hydroxy-N-(1-methylethyl)-alpha-phenyl-
CID 3043303
2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide
CID 11174765
2-hydroxy-2-phenyl-N-(3-phenylpropyl)butanamide
CID 11243450
2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide
CID 11427771
N-butyl-2-hydroxy-2,2-diphenylacetamide
CID 24286581

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide?
The IUPAC name of (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide (CID 57381744) is (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide.
What is the SMILES notation for (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide?
The canonical SMILES for (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide is CC[C@@](O)(c1ccccc1)C(F)(F)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide?
The InChIKey is SVNBSMUDKBZJKF-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-3-18(24,16-12-8-5-9-13-16)19(20,21)17(23)22-14(2)15-10-6-4-7-11-15/h4-14,24H,3H2,1-2H3,(H,22,23)/t14-,18+/m0/s1.
What are the key properties of (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide?
(3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide has a molecular weight of 333.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide is sourced from PubChem (CID 57381744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).