2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide

C12H16FNO3 — CID 102882133

IUPAC2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
SMILESCCC(O)CNC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C12H16FNO3/c1-3-8(15)7-14-12(16)10-5-4-9(17-2)6-11(10)13/h4-6,8,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyFPGUHAFGBYAMAA-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.34
Rot. Bonds5

About 2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide

2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide (PubChem CID 102882133) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
PubChem CID102882133
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
SMILESCCC(O)CNC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C12H16FNO3/c1-3-8(15)7-14-12(16)10-5-4-9(17-2)6-11(10)13/h4-6,8,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyFPGUHAFGBYAMAA-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225
2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 103846823
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide
CID 102885176
N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221
2-fluoro-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 103604548
N-but-2-ynyl-2-fluoro-4-methoxybenzamide
CID 103868606
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide?
The IUPAC name of 2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide (CID 102882133) is 2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide is CCC(O)CNC(=O)c1ccc(OC)cc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide?
The InChIKey is FPGUHAFGBYAMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-3-8(15)7-14-12(16)10-5-4-9(17-2)6-11(10)13/h4-6,8,15H,3,7H2,1-2H3,(H,14,16).
What are the key properties of 2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide?
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide has a molecular weight of 241.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide is sourced from PubChem (CID 102882133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).