N,N-dibutyl-2-fluorobenzamide

C15H22FNO — CID 532808

IUPACN,N-dibutyl-2-fluorobenzamide
SMILESCCCCN(CCCC)C(=O)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-3-5-11-17(12-6-4-2)15(18)13-9-7-8-10-14(13)16/h7-10H,3-6,11-12H2,1-2H3
InChIKeyOQMGKPHQKMBSLF-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.87
Rot. Bonds7

About N,N-dibutyl-2-fluorobenzamide

N,N-dibutyl-2-fluorobenzamide (PubChem CID 532808) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N,N-dibutyl-2-fluorobenzamide.

Molecular Properties

Compound NameN,N-dibutyl-2-fluorobenzamide
PubChem CID532808
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN,N-dibutyl-2-fluorobenzamide
SMILESCCCCN(CCCC)C(=O)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-3-5-11-17(12-6-4-2)15(18)13-9-7-8-10-14(13)16/h7-10H,3-6,11-12H2,1-2H3
InChIKeyOQMGKPHQKMBSLF-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-fluorobenzamide?
The IUPAC name of N,N-dibutyl-2-fluorobenzamide (CID 532808) is N,N-dibutyl-2-fluorobenzamide.
What is the SMILES notation for N,N-dibutyl-2-fluorobenzamide?
The canonical SMILES for N,N-dibutyl-2-fluorobenzamide is CCCCN(CCCC)C(=O)c1ccccc1F.
What is the InChIKey of N,N-dibutyl-2-fluorobenzamide?
The InChIKey is OQMGKPHQKMBSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-5-11-17(12-6-4-2)15(18)13-9-7-8-10-14(13)16/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of N,N-dibutyl-2-fluorobenzamide?
N,N-dibutyl-2-fluorobenzamide has a molecular weight of 251.34 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-fluorobenzamide is sourced from PubChem (CID 532808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).