methyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate

C20H15F2NO4 — CID 24875413

IUPACmethyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c(C)o1
InChIInChI=1S/C20H15F2NO4/c1-11-14(10-17(27-11)20(25)26-2)12-6-8-13(9-7-12)23-19(24)18-15(21)4-3-5-16(18)22/h3-10H,1-2H3,(H,23,24)
InChIKeyABWCBPSIWHRJDK-UHFFFAOYSA-N
MW371.34 g/mol
LogP4.57
Rot. Bonds4

About methyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate

methyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate (PubChem CID 24875413) has the molecular formula C20H15F2NO4 and a molecular weight of 371.34 g/mol. Its IUPAC name is methyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate
PubChem CID24875413
Molecular FormulaC20H15F2NO4
Molecular Weight371.34 g/mol
Exact Mass371.10
IUPAC Namemethyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c(C)o1
InChIInChI=1S/C20H15F2NO4/c1-11-14(10-17(27-11)20(25)26-2)12-6-8-13(9-7-12)23-19(24)18-15(21)4-3-5-16(18)22/h3-10H,1-2H3,(H,23,24)
InChIKeyABWCBPSIWHRJDK-UHFFFAOYSA-N
XLogP4.57
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate?
The IUPAC name of methyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate (CID 24875413) is methyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate?
The canonical SMILES for methyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate is COC(=O)c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c(C)o1.
What is the InChIKey of methyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate?
The InChIKey is ABWCBPSIWHRJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO4/c1-11-14(10-17(27-11)20(25)26-2)12-6-8-13(9-7-12)23-19(24)18-15(21)4-3-5-16(18)22/h3-10H,1-2H3,(H,23,24).
What are the key properties of methyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate?
methyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate has a molecular weight of 371.34 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylfuran-2-carboxylate is sourced from PubChem (CID 24875413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).