N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide

C14H20FNO — CID 115745580

IUPACN-(2-ethylbutyl)-4-fluoro-2-methylbenzamide
SMILESCCC(CC)CNC(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H20FNO/c1-4-11(5-2)9-16-14(17)13-7-6-12(15)8-10(13)3/h6-8,11H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyNHKATVFVXRXWCS-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.30
Rot. Bonds5

About N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide

N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide (PubChem CID 115745580) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4-fluoro-2-methylbenzamide
PubChem CID115745580
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-(2-ethylbutyl)-4-fluoro-2-methylbenzamide
SMILESCCC(CC)CNC(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H20FNO/c1-4-11(5-2)9-16-14(17)13-7-6-12(15)8-10(13)3/h6-8,11H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyNHKATVFVXRXWCS-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 107016911
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528310
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489
2-[2-[(4-fluoro-2-methylbenzoyl)amino]ethylsulfanyl]acetic acid
CID 120526481
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide
CID 112702497
N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide
CID 114302810
2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
ethyl 4-[(4-fluoro-2-methylbenzoyl)amino]butanoate
CID 112702353

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide (CID 115745580) is N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide is CCC(CC)CNC(=O)c1ccc(F)cc1C.
What is the InChIKey of N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide?
The InChIKey is NHKATVFVXRXWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-11(5-2)9-16-14(17)13-7-6-12(15)8-10(13)3/h6-8,11H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide?
N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide has a molecular weight of 237.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 115745580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).