N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide

C14H20FNO2 — CID 112699624

IUPACN-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide
SMILESCCC(CCO)CNC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C14H20FNO2/c1-3-11(4-5-17)9-16-14(18)12-6-10(2)7-13(15)8-12/h6-8,11,17H,3-5,9H2,1-2H3,(H,16,18)
InChIKeyMCQLPGHSLZLGMD-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.27
Rot. Bonds6

About N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide

N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide (PubChem CID 112699624) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide
PubChem CID112699624
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide
SMILESCCC(CCO)CNC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C14H20FNO2/c1-3-11(4-5-17)9-16-14(18)12-6-10(2)7-13(15)8-12/h6-8,11,17H,3-5,9H2,1-2H3,(H,16,18)
InChIKeyMCQLPGHSLZLGMD-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide
CID 171503801
3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide
CID 107156586
N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methyl-5-nitrobenzamide
CID 111697440
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
N-(2-aminopentyl)-3,5-difluorobenzamide
CID 115737672
N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride
CID 119504618
2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 111697266
3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114618286
N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide
CID 107706016
N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide
CID 115745580

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide (CID 112699624) is N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide is CCC(CCO)CNC(=O)c1cc(C)cc(F)c1.
What is the InChIKey of N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide?
The InChIKey is MCQLPGHSLZLGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-11(4-5-17)9-16-14(18)12-6-10(2)7-13(15)8-12/h6-8,11,17H,3-5,9H2,1-2H3,(H,16,18).
What are the key properties of N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide?
N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide has a molecular weight of 253.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 112699624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).