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

C18H20FNO2 — CID 11370086

IUPAC2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-13(18(22)15-6-4-3-5-7-15)20(2)17(21)12-14-8-10-16(19)11-9-14/h3-11,13,18,22H,12H2,1-2H3/t13-,18+/m1/s1
InChIKeyLFKBBVCGSIZKGO-ACJLOTCBSA-N
MW301.36 g/mol
LogP2.95
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide (PubChem CID 11370086) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
PubChem CID11370086
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-13(18(22)15-6-4-3-5-7-15)20(2)17(21)12-14-8-10-16(19)11-9-14/h3-11,13,18,22H,12H2,1-2H3/t13-,18+/m1/s1
InChIKeyLFKBBVCGSIZKGO-ACJLOTCBSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5370611
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CID 11143662
Secoclausenamide
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N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-4-methylpentanamide
CID 9805486
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]dodecanamide
CID 11046702
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
N-(2-Hydroxy-1-methyl-2-phenylethyl)-N-methylacetamide
CID 27869
1-Cyclohexyl-3-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-propanone
CID 51719

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide (CID 11370086) is 2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-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)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The InChIKey is LFKBBVCGSIZKGO-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13(18(22)15-6-4-3-5-7-15)20(2)17(21)12-14-8-10-16(19)11-9-14/h3-11,13,18,22H,12H2,1-2H3/t13-,18+/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide has a molecular weight of 301.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide is sourced from PubChem (CID 11370086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).