2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide

C14H20FNO3 — CID 113341083

IUPAC2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C14H20FNO3/c1-4-14(5-2,9-17)16-13(18)11-7-6-10(19-3)8-12(11)15/h6-8,17H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyZKMHDVXMDKMGSP-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.12
Rot. Bonds6

About 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide

2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide (PubChem CID 113341083) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide
PubChem CID113341083
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C14H20FNO3/c1-4-14(5-2,9-17)16-13(18)11-7-6-10(19-3)8-12(11)15/h6-8,17H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyZKMHDVXMDKMGSP-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 113235181
4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide
CID 62522464
N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 65041292
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide
CID 107845895
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
4-chloro-2,5-difluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 82773237
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,5-dimethoxybenzamide
CID 107867479
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221
2-fluoro-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 103604548
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide;hydrochloride
CID 119607834
2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol
CID 103935667
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide?
The IUPAC name of 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide (CID 113341083) is 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide.
What is the SMILES notation for 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide?
The canonical SMILES for 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide is CCC(CC)(CO)NC(=O)c1ccc(OC)cc1F.
What is the InChIKey of 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide?
The InChIKey is ZKMHDVXMDKMGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-4-14(5-2,9-17)16-13(18)11-7-6-10(19-3)8-12(11)15/h6-8,17H,4-5,9H2,1-3H3,(H,16,18).
What are the key properties of 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide?
2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide has a molecular weight of 269.32 g/mol, XLogP of 2.12, 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-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 113341083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).