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

C18H19F2NO2 — CID 57381740

IUPAC(3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide
SMILESC[C@H](NC(=O)C(F)(F)[C@](C)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19F2NO2/c1-13(14-9-5-3-6-10-14)21-16(22)18(19,20)17(2,23)15-11-7-4-8-12-15/h3-13,23H,1-2H3,(H,21,22)/t13-,17+/m0/s1
InChIKeyDPKUTDNPFLAABP-SUMWQHHRSA-N
MW319.35 g/mol
LogP3.41
Rot. Bonds5

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

(3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 57381740) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name(3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide
PubChem CID57381740
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name(3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide
SMILESC[C@H](NC(=O)C(F)(F)[C@](C)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19F2NO2/c1-13(14-9-5-3-6-10-14)21-16(22)18(19,20)17(2,23)15-11-7-4-8-12-15/h3-13,23H,1-2H3,(H,21,22)/t13-,17+/m0/s1
InChIKeyDPKUTDNPFLAABP-SUMWQHHRSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.41
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]butanamide?
The IUPAC name of (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide (CID 57381740) is (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide is C[C@H](NC(=O)C(F)(F)[C@](C)(O)c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is DPKUTDNPFLAABP-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-13(14-9-5-3-6-10-14)21-16(22)18(19,20)17(2,23)15-11-7-4-8-12-15/h3-13,23H,1-2H3,(H,21,22)/t13-,17+/m0/s1.
What are the key properties of (3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide?
(3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 319.35 g/mol, XLogP of 3.41, 5 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]butanamide is sourced from PubChem (CID 57381740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).