N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide

C16H24FNO — CID 79778285

IUPACN-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide
SMILESCCCCN(C(=O)c1ccc(C)cc1F)C(C)CC
InChIInChI=1S/C16H24FNO/c1-5-7-10-18(13(4)6-2)16(19)14-9-8-12(3)11-15(14)17/h8-9,11,13H,5-7,10H2,1-4H3
InChIKeyUORLJNNFYPGMOL-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.17
Rot. Bonds6

About N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide

N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide (PubChem CID 79778285) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide
PubChem CID79778285
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide
SMILESCCCCN(C(=O)c1ccc(C)cc1F)C(C)CC
InChIInChI=1S/C16H24FNO/c1-5-7-10-18(13(4)6-2)16(19)14-9-8-12(3)11-15(14)17/h8-9,11,13H,5-7,10H2,1-4H3
InChIKeyUORLJNNFYPGMOL-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide
CID 107676641
N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide
CID 79778554
N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide
CID 79776951
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 113251010
N-butan-2-yl-N-butyl-5-fluoro-2-nitrobenzamide
CID 61051050
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
CID 43274768
2-bromo-5-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 81109662
N-butyl-2,3,4-trifluoro-N-heptan-2-ylbenzamide
CID 91723493
N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide
CID 62177319
N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
CID 79796018
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide?
The IUPAC name of N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide (CID 79778285) is N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide is CCCCN(C(=O)c1ccc(C)cc1F)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide?
The InChIKey is UORLJNNFYPGMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-5-7-10-18(13(4)6-2)16(19)14-9-8-12(3)11-15(14)17/h8-9,11,13H,5-7,10H2,1-4H3.
What are the key properties of N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide?
N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide has a molecular weight of 265.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 79778285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).