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

C15H10ClF2NO3 — CID 25022701

IUPACmethyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C15H10ClF2NO3/c1-22-15(21)9-6-5-8(16)7-12(9)19-14(20)13-10(17)3-2-4-11(13)18/h2-7H,1H3,(H,19,20)
InChIKeyWXFKZUKLHCWFBX-UHFFFAOYSA-N
MW325.70 g/mol
LogP3.66
Rot. Bonds3

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

methyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate (PubChem CID 25022701) has the molecular formula C15H10ClF2NO3 and a molecular weight of 325.70 g/mol. Its IUPAC name is methyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate
PubChem CID25022701
Molecular FormulaC15H10ClF2NO3
Molecular Weight325.70 g/mol
Exact Mass325.03
IUPAC Namemethyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C15H10ClF2NO3/c1-22-15(21)9-6-5-8(16)7-12(9)19-14(20)13-10(17)3-2-4-11(13)18/h2-7H,1H3,(H,19,20)
InChIKeyWXFKZUKLHCWFBX-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate?
The IUPAC name of methyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate (CID 25022701) is methyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate is COC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of methyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate?
The InChIKey is WXFKZUKLHCWFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO3/c1-22-15(21)9-6-5-8(16)7-12(9)19-14(20)13-10(17)3-2-4-11(13)18/h2-7H,1H3,(H,19,20).
What are the key properties of methyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate?
methyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate has a molecular weight of 325.70 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate is sourced from PubChem (CID 25022701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).