2,6-dibutyl-4-fluoro-N-methylbenzamide

C16H24FNO — CID 102267113

IUPAC2,6-dibutyl-4-fluoro-N-methylbenzamide
SMILESCCCCc1cc(F)cc(CCCC)c1C(=O)NC
InChIInChI=1S/C16H24FNO/c1-4-6-8-12-10-14(17)11-13(9-7-5-2)15(12)16(19)18-3/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyRSEHPCXEMPZKQP-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.87
Rot. Bonds7

About 2,6-dibutyl-4-fluoro-N-methylbenzamide

2,6-dibutyl-4-fluoro-N-methylbenzamide (PubChem CID 102267113) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2,6-dibutyl-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2,6-dibutyl-4-fluoro-N-methylbenzamide
PubChem CID102267113
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2,6-dibutyl-4-fluoro-N-methylbenzamide
SMILESCCCCc1cc(F)cc(CCCC)c1C(=O)NC
InChIInChI=1S/C16H24FNO/c1-4-6-8-12-10-14(17)11-13(9-7-5-2)15(12)16(19)18-3/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyRSEHPCXEMPZKQP-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-butyl-2-fluoro-N-methylbenzamide
CID 147314196
2-butyl-N-methyl-1-benzofuran-3-carboxamide
CID 141114520
N-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide
CID 142375264
2,6-dibutyl-3-chloro-4-fluorobenzamide
CID 87443184
dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate
CID 44521370
2,3,5-trifluoro-N-methylbenzamide
CID 58656809
4,5-dibutylphthalic acid
CID 57316661
5-butyl-2,3-dihydroxyterephthalic acid
CID 23223961
1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+)
CID 58598683
1-(2,4,6-trifluorophenyl)hexan-1-one
CID 43160560
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
4-(aminomethyl)-2,6-difluoro-N-methylbenzamide
CID 130594863

Frequently Asked Questions

What is the IUPAC name of 2,6-dibutyl-4-fluoro-N-methylbenzamide?
The IUPAC name of 2,6-dibutyl-4-fluoro-N-methylbenzamide (CID 102267113) is 2,6-dibutyl-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 2,6-dibutyl-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2,6-dibutyl-4-fluoro-N-methylbenzamide is CCCCc1cc(F)cc(CCCC)c1C(=O)NC.
What is the InChIKey of 2,6-dibutyl-4-fluoro-N-methylbenzamide?
The InChIKey is RSEHPCXEMPZKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-6-8-12-10-14(17)11-13(9-7-5-2)15(12)16(19)18-3/h10-11H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2,6-dibutyl-4-fluoro-N-methylbenzamide?
2,6-dibutyl-4-fluoro-N-methylbenzamide has a molecular weight of 265.37 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibutyl-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 102267113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).