2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide

C13H15F4NO — CID 176704795

IUPAC2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F4NO/c1-3-5-7(4-2)18-13(19)8-6-9(14)11(16)12(17)10(8)15/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyOJYZCAZYZKDPNN-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.55
Rot. Bonds5

About 2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide

2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide (PubChem CID 176704795) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide
PubChem CID176704795
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F4NO/c1-3-5-7(4-2)18-13(19)8-6-9(14)11(16)12(17)10(8)15/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyOJYZCAZYZKDPNN-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
CID 107120973
2,4,5-trifluoro-3-hydroxy-N-(1-hydroxypentan-3-yl)benzamide
CID 104580624
5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
CID 62092925
N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide
CID 79749483
2-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]pentanoic acid
CID 65218696
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
CID 62092742
2,4,5-trifluoro-N-hex-5-yn-3-yl-3-hydroxybenzamide
CID 104580561
4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide
CID 62045877
N-hexan-3-yl-2-hydroxybenzamide
CID 62046226
3-[3-fluoro-4-(hexan-3-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 76934580
5-amino-4-fluoro-N-hexan-3-yl-2-nitrobenzamide
CID 62161318
2-[(2,3,4,5-tetrafluorobenzoyl)amino]butanedioic acid
CID 78910205

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide (CID 176704795) is 2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide is CCCC(CC)NC(=O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide?
The InChIKey is OJYZCAZYZKDPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-3-5-7(4-2)18-13(19)8-6-9(14)11(16)12(17)10(8)15/h6-7H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide?
2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide has a molecular weight of 277.26 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide is sourced from PubChem (CID 176704795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).