N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide

C11H14FNO2 — CID 82113315

IUPACN-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide
SMILESCC(=O)NCC(O)c1ccc(F)c(C)c1
InChIInChI=1S/C11H14FNO2/c1-7-5-9(3-4-10(7)12)11(15)6-13-8(2)14/h3-5,11,15H,6H2,1-2H3,(H,13,14)
InChIKeyVQLLNGILYCRWBE-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.30
Rot. Bonds3

About N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide

N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide (PubChem CID 82113315) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide
PubChem CID82113315
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide
SMILESCC(=O)NCC(O)c1ccc(F)c(C)c1
InChIInChI=1S/C11H14FNO2/c1-7-5-9(3-4-10(7)12)11(15)6-13-8(2)14/h3-5,11,15H,6H2,1-2H3,(H,13,14)
InChIKeyVQLLNGILYCRWBE-UHFFFAOYSA-N
XLogP1.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314995
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide
CID 82116875
2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]-3-hydroxybutanoic acid
CID 82315016
1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
CID 62772558
methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate
CID 62121072
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
1-(4-fluoro-3-methylphenyl)-2-(2-methylanilino)ethanol
CID 82121205
2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide
CID 82129851
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189
(4-fluoro-3-methylphenyl)methanediol
CID 45090626

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide (CID 82113315) is N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide is CC(=O)NCC(O)c1ccc(F)c(C)c1.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide?
The InChIKey is VQLLNGILYCRWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-5-9(3-4-10(7)12)11(15)6-13-8(2)14/h3-5,11,15H,6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide?
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide has a molecular weight of 211.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 82113315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).