dimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate

C23H18FNO6 — CID 1026564

IUPACdimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(Oc2cccc(NC(=O)c3ccccc3F)c2)cc1C(=O)OC
InChIInChI=1S/C23H18FNO6/c1-29-22(27)17-11-10-16(13-19(17)23(28)30-2)31-15-7-5-6-14(12-15)25-21(26)18-8-3-4-9-20(18)24/h3-13H,1-2H3,(H,25,26)
InChIKeyBDFDCSWKQLFZPU-UHFFFAOYSA-N
MW423.40 g/mol
LogP4.44
Rot. Bonds6

About dimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate

dimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate (PubChem CID 1026564) has the molecular formula C23H18FNO6 and a molecular weight of 423.40 g/mol. Its IUPAC name is dimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate
PubChem CID1026564
Molecular FormulaC23H18FNO6
Molecular Weight423.40 g/mol
Exact Mass423.11
IUPAC Namedimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(Oc2cccc(NC(=O)c3ccccc3F)c2)cc1C(=O)OC
InChIInChI=1S/C23H18FNO6/c1-29-22(27)17-11-10-16(13-19(17)23(28)30-2)31-15-7-5-6-14(12-15)25-21(26)18-8-3-4-9-20(18)24/h3-13H,1-2H3,(H,25,26)
InChIKeyBDFDCSWKQLFZPU-UHFFFAOYSA-N
XLogP4.44
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate (CID 1026564) is dimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate is COC(=O)c1ccc(Oc2cccc(NC(=O)c3ccccc3F)c2)cc1C(=O)OC.
What is the InChIKey of dimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate?
The InChIKey is BDFDCSWKQLFZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO6/c1-29-22(27)17-11-10-16(13-19(17)23(28)30-2)31-15-7-5-6-14(12-15)25-21(26)18-8-3-4-9-20(18)24/h3-13H,1-2H3,(H,25,26).
What are the key properties of dimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate?
dimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate has a molecular weight of 423.40 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[3-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate is sourced from PubChem (CID 1026564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).