2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide

C13H18FNO3 — CID 103876983

IUPAC2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
SMILESCOCC(O)CCNC(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO3/c1-9-3-4-11(12(14)7-9)13(17)15-6-5-10(16)8-18-2/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyHEUFNTRWIZWIIU-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.26
Rot. Bonds6

About 2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide

2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide (PubChem CID 103876983) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
PubChem CID103876983
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
SMILESCOCC(O)CCNC(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO3/c1-9-3-4-11(12(14)7-9)13(17)15-6-5-10(16)8-18-2/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyHEUFNTRWIZWIIU-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
2-bromo-3-fluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243511
2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
CID 83210328
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-5-nitrobenzamide
CID 106242556
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
CID 103877168
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029
N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
CID 114163030
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-sulfanylbenzamide
CID 106248577
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
5-fluoro-N-(3-hydroxy-4-methoxybutyl)-2-nitrobenzamide
CID 103877037

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide?
The IUPAC name of 2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide (CID 103876983) is 2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide is COCC(O)CCNC(=O)c1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide?
The InChIKey is HEUFNTRWIZWIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9-3-4-11(12(14)7-9)13(17)15-6-5-10(16)8-18-2/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of 2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide?
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide has a molecular weight of 255.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide is sourced from PubChem (CID 103876983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).