3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide

C13H18FNO3 — CID 109478916

IUPAC3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
SMILESCCC(CCO)NC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FNO3/c1-3-10(6-7-16)15-13(17)9-4-5-12(18-2)11(14)8-9/h4-5,8,10,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyRZPNPAAJAOJFDA-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.73
Rot. Bonds6

About 3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide

3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide (PubChem CID 109478916) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
PubChem CID109478916
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
SMILESCCC(CCO)NC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FNO3/c1-3-10(6-7-16)15-13(17)9-4-5-12(18-2)11(14)8-9/h4-5,8,10,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyRZPNPAAJAOJFDA-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromopentan-3-yl)-3-fluoro-4-methoxybenzamide
CID 113496391
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoro-4-methoxybenzamide
CID 76977862
3-fluoro-4-methoxy-N-pent-1-yn-3-ylbenzamide
CID 103579091
3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
CID 103850888
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
CID 115767323
N-hexan-3-yl-3-hydroxy-4-methoxybenzamide
CID 79672456
N-(4-bromobutan-2-yl)-3-fluoro-4-methoxybenzamide
CID 83179034
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 114300958
N-(1-bromobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 114307617

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide (CID 109478916) is 3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide is CCC(CCO)NC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide?
The InChIKey is RZPNPAAJAOJFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-3-10(6-7-16)15-13(17)9-4-5-12(18-2)11(14)8-9/h4-5,8,10,16H,3,6-7H2,1-2H3,(H,15,17).
What are the key properties of 3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide?
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide has a molecular weight of 255.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 109478916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).