2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

C18H19F2NO2 — CID 101181604

IUPAC2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2NO2/c1-12(18(23)14-6-4-3-5-7-14)21(2)17(22)11-13-8-9-15(19)16(20)10-13/h3-10,12,18,23H,11H2,1-2H3/t12-,18+/m1/s1
InChIKeyAWQIHFOPMURMMG-XIKOKIGWSA-N
MW319.35 g/mol
LogP3.09
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide (PubChem CID 101181604) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
PubChem CID101181604
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2NO2/c1-12(18(23)14-6-4-3-5-7-14)21(2)17(22)11-13-8-9-15(19)16(20)10-13/h3-10,12,18,23H,11H2,1-2H3/t12-,18+/m1/s1
InChIKeyAWQIHFOPMURMMG-XIKOKIGWSA-N
XLogP3.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide (CID 101181604) is 2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide is C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The InChIKey is AWQIHFOPMURMMG-XIKOKIGWSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-12(18(23)14-6-4-3-5-7-14)21(2)17(22)11-13-8-9-15(19)16(20)10-13/h3-10,12,18,23H,11H2,1-2H3/t12-,18+/m1/s1.
What are the key properties of 2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide has a molecular weight of 319.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide is sourced from PubChem (CID 101181604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).