ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate

C15H19F2NO3 — CID 23581831

IUPACethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO3/c1-2-21-14(19)6-4-3-5-9-18-15(20)12-8-7-11(16)10-13(12)17/h7-8,10H,2-6,9H2,1H3,(H,18,20)
InChIKeyLXFJDVSZVWHKHH-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.82
Rot. Bonds8

About ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate

ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate (PubChem CID 23581831) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate.

Molecular Properties

Compound Nameethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate
PubChem CID23581831
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Nameethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO3/c1-2-21-14(19)6-4-3-5-9-18-15(20)12-8-7-11(16)10-13(12)17/h7-8,10H,2-6,9H2,1H3,(H,18,20)
InChIKeyLXFJDVSZVWHKHH-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate 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 ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate?
The IUPAC name of ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate (CID 23581831) is ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate.
What is the SMILES notation for ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate?
The canonical SMILES for ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate is CCOC(=O)CCCCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate?
The InChIKey is LXFJDVSZVWHKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-2-21-14(19)6-4-3-5-9-18-15(20)12-8-7-11(16)10-13(12)17/h7-8,10H,2-6,9H2,1H3,(H,18,20).
What are the key properties of ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate?
ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate has a molecular weight of 299.32 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2,4-difluorobenzoyl)amino]hexanoate is sourced from PubChem (CID 23581831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).