4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide

C16H18FNO — CID 114088224

IUPAC4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
SMILESCCC(C)CNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H18FNO/c1-3-11(2)10-18-16(19)14-8-9-15(17)13-7-5-4-6-12(13)14/h4-9,11H,3,10H2,1-2H3,(H,18,19)
InChIKeyAIZGOJUFGOPIEC-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.75
Rot. Bonds4

About 4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide

4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide (PubChem CID 114088224) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
PubChem CID114088224
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
SMILESCCC(C)CNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H18FNO/c1-3-11(2)10-18-16(19)14-8-9-15(17)13-7-5-4-6-12(13)14/h4-9,11H,3,10H2,1-2H3,(H,18,19)
InChIKeyAIZGOJUFGOPIEC-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide
CID 114088238
4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
CID 114088240
4-fluoro-N-pentylnaphthalene-1-carboxamide
CID 114088205
N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
CID 106153058
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide
CID 62692096
N'-acetyl-4-fluoronaphthalene-1-carbohydrazide
CID 114088219

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide?
The IUPAC name of 4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide (CID 114088224) is 4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide is CCC(C)CNC(=O)c1ccc(F)c2ccccc12.
What is the InChIKey of 4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide?
The InChIKey is AIZGOJUFGOPIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-11(2)10-18-16(19)14-8-9-15(17)13-7-5-4-6-12(13)14/h4-9,11H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide?
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide has a molecular weight of 259.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide is sourced from PubChem (CID 114088224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).