N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide

C11H14FNO3 — CID 82128248

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CO)cc1F
InChIInChI=1S/C11H14FNO3/c1-13(11(15)7-14)6-8-3-4-10(16-2)9(12)5-8/h3-5,14H,6-7H2,1-2H3
InChIKeyGTHHHGSCFMFCRN-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.79
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide (PubChem CID 82128248) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
PubChem CID82128248
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CO)cc1F
InChIInChI=1S/C11H14FNO3/c1-13(11(15)7-14)6-8-3-4-10(16-2)9(12)5-8/h3-5,14H,6-7H2,1-2H3
InChIKeyGTHHHGSCFMFCRN-UHFFFAOYSA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
6-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60921327
3-(ethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 62835854
2-(2-aminoethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 79473063
ethyl 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoacetate
CID 115142014
4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 81075378
5-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62964021
N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 115139923
2-(4-acetamidophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 17485829
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 17489631

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide (CID 82128248) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide is COc1ccc(CN(C)C(=O)CO)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
The InChIKey is GTHHHGSCFMFCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-13(11(15)7-14)6-8-3-4-10(16-2)9(12)5-8/h3-5,14H,6-7H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide has a molecular weight of 227.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 82128248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).