N-butyl-N-ethyl-2-fluorobenzamide

C13H18FNO — CID 2164029

IUPACN-butyl-N-ethyl-2-fluorobenzamide
SMILESCCCCN(CC)C(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO/c1-3-5-10-15(4-2)13(16)11-8-6-7-9-12(11)14/h6-9H,3-5,10H2,1-2H3
InChIKeyUNLNZZIYEZBRDB-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.09
Rot. Bonds5

About N-butyl-N-ethyl-2-fluorobenzamide

N-butyl-N-ethyl-2-fluorobenzamide (PubChem CID 2164029) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-fluorobenzamide
PubChem CID2164029
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-butyl-N-ethyl-2-fluorobenzamide
SMILESCCCCN(CC)C(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO/c1-3-5-10-15(4-2)13(16)11-8-6-7-9-12(11)14/h6-9H,3-5,10H2,1-2H3
InChIKeyUNLNZZIYEZBRDB-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-fluorobenzamide?
The IUPAC name of N-butyl-N-ethyl-2-fluorobenzamide (CID 2164029) is N-butyl-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for N-butyl-N-ethyl-2-fluorobenzamide?
The canonical SMILES for N-butyl-N-ethyl-2-fluorobenzamide is CCCCN(CC)C(=O)c1ccccc1F.
What is the InChIKey of N-butyl-N-ethyl-2-fluorobenzamide?
The InChIKey is UNLNZZIYEZBRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-5-10-15(4-2)13(16)11-8-6-7-9-12(11)14/h6-9H,3-5,10H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-2-fluorobenzamide?
N-butyl-N-ethyl-2-fluorobenzamide has a molecular weight of 223.29 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 2164029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).