N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide

C15H22FNO3 — CID 103658335

IUPACN-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
SMILESCCC(CC)C(O)CNC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C15H22FNO3/c1-4-10(5-2)14(18)9-17-15(19)12-7-6-11(20-3)8-13(12)16/h6-8,10,14,18H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyOOHMRSUIFMZNAS-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.36
Rot. Bonds7

About N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide

N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide (PubChem CID 103658335) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
PubChem CID103658335
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
SMILESCCC(CC)C(O)CNC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C15H22FNO3/c1-4-10(5-2)14(18)9-17-15(19)12-7-6-11(20-3)8-13(12)16/h6-8,10,14,18H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyOOHMRSUIFMZNAS-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide
CID 111115894
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
CID 106284093
N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225
2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 103846823
N-but-2-ynyl-2-fluoro-4-methoxybenzamide
CID 103868606
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
N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111115760
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide (CID 103658335) is N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide is CCC(CC)C(O)CNC(=O)c1ccc(OC)cc1F.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is OOHMRSUIFMZNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-4-10(5-2)14(18)9-17-15(19)12-7-6-11(20-3)8-13(12)16/h6-8,10,14,18H,4-5,9H2,1-3H3,(H,17,19).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide?
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide has a molecular weight of 283.34 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 103658335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).