4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide

C14H17F4NO — CID 62045877

IUPAC4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide
SMILESCCCC(CC)NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F4NO/c1-3-5-10(4-2)19-13(20)9-6-7-12(15)11(8-9)14(16,17)18/h6-8,10H,3-5H2,1-2H3,(H,19,20)
InChIKeySALKLMMNHLALJU-UHFFFAOYSA-N
MW291.29 g/mol
LogP4.15
Rot. Bonds5

About 4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide

4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide (PubChem CID 62045877) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is 4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide
PubChem CID62045877
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC Name4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide
SMILESCCCC(CC)NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F4NO/c1-3-5-10(4-2)19-13(20)9-6-7-12(15)11(8-9)14(16,17)18/h6-8,10H,3-5H2,1-2H3,(H,19,20)
InChIKeySALKLMMNHLALJU-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-hexan-3-yl-3-nitrobenzamide
CID 55031524
4-fluoro-N-(1-iodo-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 107859911
N-hexan-3-yl-3-hydroxy-4-methylbenzamide
CID 62118967
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987
4-amino-N-hexan-3-ylbenzamide
CID 62094734
N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide
CID 65190911
N-(1-chlorobutan-2-yl)-3,4-difluorobenzamide
CID 114294264
N-hexan-3-yl-3-hydroxybenzamide
CID 62118966
2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide
CID 176704795
4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 107300108

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide (CID 62045877) is 4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide is CCCC(CC)NC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide?
The InChIKey is SALKLMMNHLALJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO/c1-3-5-10(4-2)19-13(20)9-6-7-12(15)11(8-9)14(16,17)18/h6-8,10H,3-5H2,1-2H3,(H,19,20).
What are the key properties of 4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide?
4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide has a molecular weight of 291.29 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62045877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).