(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide

C19H21FN2O3 — CID 97191743

IUPAC(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)c1ccc(O)cc1)C(=O)[C@H](c1ccc(F)cc1)N(C)C
InChIInChI=1S/C19H21FN2O3/c1-21(2)18(14-4-8-15(20)9-5-14)19(25)22(3)12-17(24)13-6-10-16(23)11-7-13/h4-11,18,23H,12H2,1-3H3/t18-/m0/s1
InChIKeyWFOJXCLALRYBOO-SFHVURJKSA-N
MW344.39 g/mol
LogP2.48
Rot. Bonds6

About (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide

(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide (PubChem CID 97191743) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide
PubChem CID97191743
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)c1ccc(O)cc1)C(=O)[C@H](c1ccc(F)cc1)N(C)C
InChIInChI=1S/C19H21FN2O3/c1-21(2)18(14-4-8-15(20)9-5-14)19(25)22(3)12-17(24)13-6-10-16(23)11-7-13/h4-11,18,23H,12H2,1-3H3/t18-/m0/s1
InChIKeyWFOJXCLALRYBOO-SFHVURJKSA-N
XLogP2.48
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide (CID 97191743) is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)c1ccc(O)cc1)C(=O)[C@H](c1ccc(F)cc1)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide?
The InChIKey is WFOJXCLALRYBOO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-21(2)18(14-4-8-15(20)9-5-14)19(25)22(3)12-17(24)13-6-10-16(23)11-7-13/h4-11,18,23H,12H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide?
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide has a molecular weight of 344.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 97191743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).