4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide

C16H24FNO2 — CID 63213062

IUPAC4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H24FNO2/c1-5-14(6-2)18(9-10-20-4)16(19)13-7-8-15(17)12(3)11-13/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyUTOJFFCBGVFGDE-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.41
Rot. Bonds7

About 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide

4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide (PubChem CID 63213062) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
PubChem CID63213062
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H24FNO2/c1-5-14(6-2)18(9-10-20-4)16(19)13-7-8-15(17)12(3)11-13/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyUTOJFFCBGVFGDE-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026547
4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide
CID 55796321
4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 63212442
4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 103957082
3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 104852335
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 55241197
N-(2-bromoethyl)-3-fluoro-4-methyl-N-pentan-3-ylbenzamide
CID 80670865
N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-carboxamide
CID 60792621
N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 54993744
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 54995378

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide?
The IUPAC name of 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide (CID 63213062) is 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide is CCC(CC)N(CCOC)C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide?
The InChIKey is UTOJFFCBGVFGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-5-14(6-2)18(9-10-20-4)16(19)13-7-8-15(17)12(3)11-13/h7-8,11,14H,5-6,9-10H2,1-4H3.
What are the key properties of 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide?
4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide has a molecular weight of 281.37 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 63213062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).