2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide

C22H26FNO3 — CID 162522458

IUPAC2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide
SMILESC=C(C)c1cc(OCC(=O)NC)ccc1Cc1ccc(O)c(C(C)C)c1F
InChIInChI=1S/C22H26FNO3/c1-13(2)18-11-17(27-12-20(26)24-5)8-6-15(18)10-16-7-9-19(25)21(14(3)4)22(16)23/h6-9,11,14,25H,1,10,12H2,2-5H3,(H,24,26)
InChIKeyMIKDWCQHUMKPSP-UHFFFAOYSA-N
MW371.45 g/mol
LogP4.40
Rot. Bonds7

About 2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide

2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide (PubChem CID 162522458) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide
PubChem CID162522458
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide
SMILESC=C(C)c1cc(OCC(=O)NC)ccc1Cc1ccc(O)c(C(C)C)c1F
InChIInChI=1S/C22H26FNO3/c1-13(2)18-11-17(27-12-20(26)24-5)8-6-15(18)10-16-7-9-19(25)21(14(3)4)22(16)23/h6-9,11,14,25H,1,10,12H2,2-5H3,(H,24,26)
InChIKeyMIKDWCQHUMKPSP-UHFFFAOYSA-N
XLogP4.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N,N-dimethylacetamide
CID 162522452
2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide
CID 162522729
2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide
CID 72885050
2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 63180485
2-[(6-fluoro-3-pyridinyl)oxy]-N-methylacetamide
CID 115371615
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
1-[3-chloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-prop-1-en-2-ylphenoxy]propan-2-one
CID 160700166
2-[3,5-dichloro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]phenyl]sulfanylacetic acid
CID 162522625
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide (CID 162522458) is 2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide is C=C(C)c1cc(OCC(=O)NC)ccc1Cc1ccc(O)c(C(C)C)c1F.
What is the InChIKey of 2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide?
The InChIKey is MIKDWCQHUMKPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-13(2)18-11-17(27-12-20(26)24-5)8-6-15(18)10-16-7-9-19(25)21(14(3)4)22(16)23/h6-9,11,14,25H,1,10,12H2,2-5H3,(H,24,26).
What are the key properties of 2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide?
2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide has a molecular weight of 371.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide is sourced from PubChem (CID 162522458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).