N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide

C18H28FNO — CID 123280491

IUPACN-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide
SMILESCC(C)CCC(CNC(=O)c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C18H28FNO/c1-13(2)6-9-15(18(3,4)5)12-20-17(21)14-7-10-16(19)11-8-14/h7-8,10-11,13,15H,6,9,12H2,1-5H3,(H,20,21)
InChIKeyIWGFVFSVGJOUMX-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.65
Rot. Bonds6

About N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide

N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide (PubChem CID 123280491) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide
PubChem CID123280491
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide
SMILESCC(C)CCC(CNC(=O)c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C18H28FNO/c1-13(2)6-9-15(18(3,4)5)12-20-17(21)14-7-10-16(19)11-8-14/h7-8,10-11,13,15H,6,9,12H2,1-5H3,(H,20,21)
InChIKeyIWGFVFSVGJOUMX-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 123715047
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CID 17426344
4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide
CID 143916068
4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide
CID 123815567
4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914606
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide
CID 25440540
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide?
The IUPAC name of N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide (CID 123280491) is N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide?
The canonical SMILES for N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide is CC(C)CCC(CNC(=O)c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide?
The InChIKey is IWGFVFSVGJOUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-13(2)6-9-15(18(3,4)5)12-20-17(21)14-7-10-16(19)11-8-14/h7-8,10-11,13,15H,6,9,12H2,1-5H3,(H,20,21).
What are the key properties of N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide?
N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide has a molecular weight of 293.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide is sourced from PubChem (CID 123280491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).