N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide

C12H16FNO3 — CID 115178621

IUPACN-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)(C)O)cc1F
InChIInChI=1S/C12H16FNO3/c1-12(2,16)11(15)14(3)8-5-6-10(17-4)9(13)7-8/h5-7,16H,1-4H3
InChIKeyYQWASIWRAJSYBX-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.57
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide

N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide (PubChem CID 115178621) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
PubChem CID115178621
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)(C)O)cc1F
InChIInChI=1S/C12H16FNO3/c1-12(2,16)11(15)14(3)8-5-6-10(17-4)9(13)7-8/h5-7,16H,1-4H3
InChIKeyYQWASIWRAJSYBX-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178652
3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
CID 115154887
1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
CID 115168962
4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide
CID 115157259
1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
CID 115234535
N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 115159991
2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 139020691
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183989
N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190181
2-hydroxy-N-(2-methoxy-4,5-dimethylphenyl)-N,2-dimethylpropanamide
CID 115178640
1-(3-fluoro-4-methoxyphenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446280

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide (CID 115178621) is N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide is COc1ccc(N(C)C(=O)C(C)(C)O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide?
The InChIKey is YQWASIWRAJSYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-12(2,16)11(15)14(3)8-5-6-10(17-4)9(13)7-8/h5-7,16H,1-4H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide?
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide has a molecular weight of 241.26 g/mol, XLogP of 1.57, 3 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)-2-hydroxy-N,2-dimethylpropanamide is sourced from PubChem (CID 115178621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).