propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate

C17H14ClF2NO3 — CID 25022700

IUPACpropyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H14ClF2NO3/c1-2-8-24-17(23)11-7-6-10(18)9-14(11)21-16(22)15-12(19)4-3-5-13(15)20/h3-7,9H,2,8H2,1H3,(H,21,22)
InChIKeyFSGKBYXZOHABIW-UHFFFAOYSA-N
MW353.75 g/mol
LogP4.44
Rot. Bonds5

About propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate

propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate (PubChem CID 25022700) has the molecular formula C17H14ClF2NO3 and a molecular weight of 353.75 g/mol. Its IUPAC name is propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate
PubChem CID25022700
Molecular FormulaC17H14ClF2NO3
Molecular Weight353.75 g/mol
Exact Mass353.06
IUPAC Namepropyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H14ClF2NO3/c1-2-8-24-17(23)11-7-6-10(18)9-14(11)21-16(22)15-12(19)4-3-5-13(15)20/h3-7,9H,2,8H2,1H3,(H,21,22)
InChIKeyFSGKBYXZOHABIW-UHFFFAOYSA-N
XLogP4.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.75
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate?
The IUPAC name of propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate (CID 25022700) is propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate.
What is the SMILES notation for propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate?
The canonical SMILES for propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate is CCCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate?
The InChIKey is FSGKBYXZOHABIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO3/c1-2-8-24-17(23)11-7-6-10(18)9-14(11)21-16(22)15-12(19)4-3-5-13(15)20/h3-7,9H,2,8H2,1H3,(H,21,22).
What are the key properties of propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate?
propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate has a molecular weight of 353.75 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate is sourced from PubChem (CID 25022700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).