3-bromo-N,N-dibutyl-4-fluorobenzamide

C15H21BrFNO — CID 103706821

IUPAC3-bromo-N,N-dibutyl-4-fluorobenzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H21BrFNO/c1-3-5-9-18(10-6-4-2)15(19)12-7-8-14(17)13(16)11-12/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyZBDGEVMOADOBPX-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.63
Rot. Bonds7

About 3-bromo-N,N-dibutyl-4-fluorobenzamide

3-bromo-N,N-dibutyl-4-fluorobenzamide (PubChem CID 103706821) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 3-bromo-N,N-dibutyl-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N,N-dibutyl-4-fluorobenzamide
PubChem CID103706821
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name3-bromo-N,N-dibutyl-4-fluorobenzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H21BrFNO/c1-3-5-9-18(10-6-4-2)15(19)12-7-8-14(17)13(16)11-12/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyZBDGEVMOADOBPX-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
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N,N-dibutyl-4-fluoro-3-nitrobenzamide
CID 43244139
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
1-(3-bromo-4-fluorophenyl)pentan-1-one
CID 79736061
N,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520
N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide
CID 103707264
N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide
CID 43136548
3-bromo-N-butyl-N-ethyl-4-methoxybenzamide
CID 60667723
4-bromo-N,N-dibutyl-3-nitrobenzamide
CID 43244140
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-dibutyl-4-fluorobenzamide?
The IUPAC name of 3-bromo-N,N-dibutyl-4-fluorobenzamide (CID 103706821) is 3-bromo-N,N-dibutyl-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N,N-dibutyl-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N,N-dibutyl-4-fluorobenzamide is CCCCN(CCCC)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N,N-dibutyl-4-fluorobenzamide?
The InChIKey is ZBDGEVMOADOBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-3-5-9-18(10-6-4-2)15(19)12-7-8-14(17)13(16)11-12/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 3-bromo-N,N-dibutyl-4-fluorobenzamide?
3-bromo-N,N-dibutyl-4-fluorobenzamide has a molecular weight of 330.24 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-dibutyl-4-fluorobenzamide is sourced from PubChem (CID 103706821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).