N-butyl-N-ethyl-4-fluorobenzamide

C13H18FNO — CID 2290498

IUPACN-butyl-N-ethyl-4-fluorobenzamide
SMILESCCCCN(CC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-3-5-10-15(4-2)13(16)11-6-8-12(14)9-7-11/h6-9H,3-5,10H2,1-2H3
InChIKeyNPXNCORKFJPDEJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.09
Rot. Bonds5

About N-butyl-N-ethyl-4-fluorobenzamide

N-butyl-N-ethyl-4-fluorobenzamide (PubChem CID 2290498) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-fluorobenzamide
PubChem CID2290498
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-butyl-N-ethyl-4-fluorobenzamide
SMILESCCCCN(CC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-3-5-10-15(4-2)13(16)11-6-8-12(14)9-7-11/h6-9H,3-5,10H2,1-2H3
InChIKeyNPXNCORKFJPDEJ-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

Analyze N-butyl-N-ethyl-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-fluorobenzamide?
The IUPAC name of N-butyl-N-ethyl-4-fluorobenzamide (CID 2290498) is N-butyl-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for N-butyl-N-ethyl-4-fluorobenzamide?
The canonical SMILES for N-butyl-N-ethyl-4-fluorobenzamide is CCCCN(CC)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-butyl-N-ethyl-4-fluorobenzamide?
The InChIKey is NPXNCORKFJPDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-5-10-15(4-2)13(16)11-6-8-12(14)9-7-11/h6-9H,3-5,10H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-4-fluorobenzamide?
N-butyl-N-ethyl-4-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-4-fluorobenzamide is sourced from PubChem (CID 2290498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).