2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate

C16H11Cl2F2NO3 — CID 2726053

IUPAC2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate
SMILESO=C(NCCOC(=O)c1c(F)cccc1Cl)c1c(F)cccc1Cl
InChIInChI=1S/C16H11Cl2F2NO3/c17-9-3-1-5-11(19)13(9)15(22)21-7-8-24-16(23)14-10(18)4-2-6-12(14)20/h1-6H,7-8H2,(H,21,22)
InChIKeyVNXFCAMPHXIBKK-UHFFFAOYSA-N
MW374.17 g/mol
LogP3.86
Rot. Bonds5

About 2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate

2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate (PubChem CID 2726053) has the molecular formula C16H11Cl2F2NO3 and a molecular weight of 374.17 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate
PubChem CID2726053
Molecular FormulaC16H11Cl2F2NO3
Molecular Weight374.17 g/mol
Exact Mass373.01
IUPAC Name2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate
SMILESO=C(NCCOC(=O)c1c(F)cccc1Cl)c1c(F)cccc1Cl
InChIInChI=1S/C16H11Cl2F2NO3/c17-9-3-1-5-11(19)13(9)15(22)21-7-8-24-16(23)14-10(18)4-2-6-12(14)20/h1-6H,7-8H2,(H,21,22)
InChIKeyVNXFCAMPHXIBKK-UHFFFAOYSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.17
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate?
The IUPAC name of 2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate (CID 2726053) is 2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate.
What is the SMILES notation for 2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate?
The canonical SMILES for 2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate is O=C(NCCOC(=O)c1c(F)cccc1Cl)c1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate?
The InChIKey is VNXFCAMPHXIBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F2NO3/c17-9-3-1-5-11(19)13(9)15(22)21-7-8-24-16(23)14-10(18)4-2-6-12(14)20/h1-6H,7-8H2,(H,21,22).
What are the key properties of 2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate?
2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate has a molecular weight of 374.17 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 2726053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).