2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide

C19H22FNO4 — CID 112788150

IUPAC2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1c(CO)cc(F)cc1CO)c1ccccc1
InChIInChI=1S/C19H22FNO4/c1-13(2)21(17-6-4-3-5-7-17)18(24)12-25-19-14(10-22)8-16(20)9-15(19)11-23/h3-9,13,22-23H,10-12H2,1-2H3
InChIKeyMQFCIJWJELIGJK-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.63
Rot. Bonds7

About 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide

2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 112788150) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
PubChem CID112788150
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1c(CO)cc(F)cc1CO)c1ccccc1
InChIInChI=1S/C19H22FNO4/c1-13(2)21(17-6-4-3-5-7-17)18(24)12-25-19-14(10-22)8-16(20)9-15(19)11-23/h3-9,13,22-23H,10-12H2,1-2H3
InChIKeyMQFCIJWJELIGJK-UHFFFAOYSA-N
XLogP2.63
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 110891996
2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 78790507
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 7701603
2-naphthalen-2-yloxy-N-phenyl-N-propan-2-ylacetamide
CID 112781691
2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 54857035
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107698259
2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 78760080
[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436
2-(4-acetamidophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 7203462
N-phenyl-2-(2-phenylethoxy)-N-propan-2-ylacetamide
CID 86777010
N-(4-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxy-N-propan-2-ylacetamide
CID 169440701

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide (CID 112788150) is 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)COc1c(CO)cc(F)cc1CO)c1ccccc1.
What is the InChIKey of 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is MQFCIJWJELIGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-13(2)21(17-6-4-3-5-7-17)18(24)12-25-19-14(10-22)8-16(20)9-15(19)11-23/h3-9,13,22-23H,10-12H2,1-2H3.
What are the key properties of 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide?
2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 347.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 112788150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).