(3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide

C16H15F2NO3 — CID 11771216

IUPAC(3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide
SMILESCN(Oc1ccccc1)C(=O)C(F)(F)[C@H](O)c1ccccc1
InChIInChI=1S/C16H15F2NO3/c1-19(22-13-10-6-3-7-11-13)15(21)16(17,18)14(20)12-8-4-2-5-9-12/h2-11,14,20H,1H3/t14-/m1/s1
InChIKeyLDVHQYGMZRGHHQ-CQSZACIVSA-N
MW307.30 g/mol
LogP2.81
Rot. Bonds5

About (3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide

(3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide (PubChem CID 11771216) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is (3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide
PubChem CID11771216
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name(3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide
SMILESCN(Oc1ccccc1)C(=O)C(F)(F)[C@H](O)c1ccccc1
InChIInChI=1S/C16H15F2NO3/c1-19(22-13-10-6-3-7-11-13)15(21)16(17,18)14(20)12-8-4-2-5-9-12/h2-11,14,20H,1H3/t14-/m1/s1
InChIKeyLDVHQYGMZRGHHQ-CQSZACIVSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-3-hydroxy-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 62397851
2,2-difluoro-1-hydroxy-4-methyl-1-phenylhexan-3-one
CID 130457174
3-[4-(2-carboxy-2,2-difluoro-1-hydroxyethyl)phenyl]-2,2-difluoro-3-hydroxypropanoic acid
CID 11709619
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 134948100
2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol
CID 19804777
(3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one
CID 134965729
2,2-difluoro-3-hydroxy-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 62397060
2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide
CID 7310648
N-methyl-N-phenoxybutanamide
CID 91433690
propan-2-ol;trifluoromethoxybenzene
CID 161029707

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide?
The IUPAC name of (3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide (CID 11771216) is (3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide.
What is the SMILES notation for (3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide?
The canonical SMILES for (3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide is CN(Oc1ccccc1)C(=O)C(F)(F)[C@H](O)c1ccccc1.
What is the InChIKey of (3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide?
The InChIKey is LDVHQYGMZRGHHQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-19(22-13-10-6-3-7-11-13)15(21)16(17,18)14(20)12-8-4-2-5-9-12/h2-11,14,20H,1H3/t14-/m1/s1.
What are the key properties of (3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide?
(3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide has a molecular weight of 307.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-difluoro-3-hydroxy-N-methyl-N-phenoxy-3-phenylpropanamide is sourced from PubChem (CID 11771216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).