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

C23H18FNO6 — CID 10320091

IUPACdimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(Oc2ccccc2NC(=O)c2ccccc2F)cc1C(=O)OC
InChIInChI=1S/C23H18FNO6/c1-29-22(27)15-12-11-14(13-17(15)23(28)30-2)31-20-10-6-5-9-19(20)25-21(26)16-7-3-4-8-18(16)24/h3-13H,1-2H3,(H,25,26)
InChIKeyFOEMSVVLOJVPQA-UHFFFAOYSA-N
MW423.40 g/mol
LogP4.44
Rot. Bonds6

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

dimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate (PubChem CID 10320091) has the molecular formula C23H18FNO6 and a molecular weight of 423.40 g/mol. Its IUPAC name is dimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate
PubChem CID10320091
Molecular FormulaC23H18FNO6
Molecular Weight423.40 g/mol
Exact Mass423.11
IUPAC Namedimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(Oc2ccccc2NC(=O)c2ccccc2F)cc1C(=O)OC
InChIInChI=1S/C23H18FNO6/c1-29-22(27)15-12-11-14(13-17(15)23(28)30-2)31-20-10-6-5-9-19(20)25-21(26)16-7-3-4-8-18(16)24/h3-13H,1-2H3,(H,25,26)
InChIKeyFOEMSVVLOJVPQA-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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Related Compounds

tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate
CID 174548801
4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid
CID 18506111
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 24682124
2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
CID 17421842
methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
CID 108992330
methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
CID 63109743
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid
CID 17296747
2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide
CID 55386883
methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049347
2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17113262

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate (CID 10320091) is dimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate is COC(=O)c1ccc(Oc2ccccc2NC(=O)c2ccccc2F)cc1C(=O)OC.
What is the InChIKey of dimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate?
The InChIKey is FOEMSVVLOJVPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO6/c1-29-22(27)15-12-11-14(13-17(15)23(28)30-2)31-20-10-6-5-9-19(20)25-21(26)16-7-3-4-8-18(16)24/h3-13H,1-2H3,(H,25,26).
What are the key properties of dimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate?
dimethyl 4-[2-[(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-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate is sourced from PubChem (CID 10320091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).