2,6-dibutyl-3-chloro-4-fluorobenzamide

C15H21ClFNO — CID 87443184

IUPAC2,6-dibutyl-3-chloro-4-fluorobenzamide
SMILESCCCCc1cc(F)c(Cl)c(CCCC)c1C(N)=O
InChIInChI=1S/C15H21ClFNO/c1-3-5-7-10-9-12(17)14(16)11(8-6-4-2)13(10)15(18)19/h9H,3-8H2,1-2H3,(H2,18,19)
InChIKeyDMQFJVRTHMVJFI-UHFFFAOYSA-N
MW285.79 g/mol
LogP4.26
Rot. Bonds7

About 2,6-dibutyl-3-chloro-4-fluorobenzamide

2,6-dibutyl-3-chloro-4-fluorobenzamide (PubChem CID 87443184) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 2,6-dibutyl-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound Name2,6-dibutyl-3-chloro-4-fluorobenzamide
PubChem CID87443184
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name2,6-dibutyl-3-chloro-4-fluorobenzamide
SMILESCCCCc1cc(F)c(Cl)c(CCCC)c1C(N)=O
InChIInChI=1S/C15H21ClFNO/c1-3-5-7-10-9-12(17)14(16)11(8-6-4-2)13(10)15(18)19/h9H,3-8H2,1-2H3,(H2,18,19)
InChIKeyDMQFJVRTHMVJFI-UHFFFAOYSA-N
XLogP4.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-dibutyl-3-chloro-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 2,6-dibutyl-3-chloro-4-fluorobenzamide?
The IUPAC name of 2,6-dibutyl-3-chloro-4-fluorobenzamide (CID 87443184) is 2,6-dibutyl-3-chloro-4-fluorobenzamide.
What is the SMILES notation for 2,6-dibutyl-3-chloro-4-fluorobenzamide?
The canonical SMILES for 2,6-dibutyl-3-chloro-4-fluorobenzamide is CCCCc1cc(F)c(Cl)c(CCCC)c1C(N)=O.
What is the InChIKey of 2,6-dibutyl-3-chloro-4-fluorobenzamide?
The InChIKey is DMQFJVRTHMVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-3-5-7-10-9-12(17)14(16)11(8-6-4-2)13(10)15(18)19/h9H,3-8H2,1-2H3,(H2,18,19).
What are the key properties of 2,6-dibutyl-3-chloro-4-fluorobenzamide?
2,6-dibutyl-3-chloro-4-fluorobenzamide has a molecular weight of 285.79 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibutyl-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 87443184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).