N,N-dibutyl-3,4,5-trifluorobenzamide

C15H20F3NO — CID 63188520

IUPACN,N-dibutyl-3,4,5-trifluorobenzamide
SMILESCCCCN(CCCC)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H20F3NO/c1-3-5-7-19(8-6-4-2)15(20)11-9-12(16)14(18)13(17)10-11/h9-10H,3-8H2,1-2H3
InChIKeyNNLHYYQGJAWPMG-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.15
Rot. Bonds7

About N,N-dibutyl-3,4,5-trifluorobenzamide

N,N-dibutyl-3,4,5-trifluorobenzamide (PubChem CID 63188520) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N,N-dibutyl-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN,N-dibutyl-3,4,5-trifluorobenzamide
PubChem CID63188520
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN,N-dibutyl-3,4,5-trifluorobenzamide
SMILESCCCCN(CCCC)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H20F3NO/c1-3-5-7-19(8-6-4-2)15(20)11-9-12(16)14(18)13(17)10-11/h9-10H,3-8H2,1-2H3
InChIKeyNNLHYYQGJAWPMG-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187331
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829
3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 63188742
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547
3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61107685
4-bromo-3-fluoro-N,N-dipentylbenzamide
CID 63524944
N-butyl-3,5-dimethyl-N-propylbenzamide;ethane
CID 142843546
N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
CID 63213761
N-(2-bromoethyl)-N-butyl-2,4,5-trifluoro-3-hydroxybenzamide
CID 80659762
N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide
CID 63754248

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3,4,5-trifluorobenzamide?
The IUPAC name of N,N-dibutyl-3,4,5-trifluorobenzamide (CID 63188520) is N,N-dibutyl-3,4,5-trifluorobenzamide.
What is the SMILES notation for N,N-dibutyl-3,4,5-trifluorobenzamide?
The canonical SMILES for N,N-dibutyl-3,4,5-trifluorobenzamide is CCCCN(CCCC)C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N,N-dibutyl-3,4,5-trifluorobenzamide?
The InChIKey is NNLHYYQGJAWPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-3-5-7-19(8-6-4-2)15(20)11-9-12(16)14(18)13(17)10-11/h9-10H,3-8H2,1-2H3.
What are the key properties of N,N-dibutyl-3,4,5-trifluorobenzamide?
N,N-dibutyl-3,4,5-trifluorobenzamide has a molecular weight of 287.32 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3,4,5-trifluorobenzamide is sourced from PubChem (CID 63188520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).