dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate

C20H20FNO6 — CID 30855027

IUPACdimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc(C(=O)OC)c1
InChIInChI=1S/C20H20FNO6/c1-20(2,28-16-7-5-14(21)6-8-16)19(25)22-15-10-12(17(23)26-3)9-13(11-15)18(24)27-4/h5-11H,1-4H3,(H,22,25)
InChIKeyUECSUDLNINGFAN-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.19
Rot. Bonds6

About dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate (PubChem CID 30855027) has the molecular formula C20H20FNO6 and a molecular weight of 389.38 g/mol. Its IUPAC name is dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate
PubChem CID30855027
Molecular FormulaC20H20FNO6
Molecular Weight389.38 g/mol
Exact Mass389.13
IUPAC Namedimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc(C(=O)OC)c1
InChIInChI=1S/C20H20FNO6/c1-20(2,28-16-7-5-14(21)6-8-16)19(25)22-15-10-12(17(23)26-3)9-13(11-15)18(24)27-4/h5-11H,1-4H3,(H,22,25)
InChIKeyUECSUDLNINGFAN-UHFFFAOYSA-N
XLogP3.19
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 30854578
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
2-(4-fluorophenoxy)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 110902168
N-[4-(4-ethoxyphenyl)phenyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 164531783
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2-(4-fluorophenoxy)-N-(2-hydroxyphenyl)-2-methylpropanamide
CID 86978390
4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide
CID 38956500
2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide
CID 164531778
4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide
CID 87026799
dimethyl 5-[3-(4-fluorophenyl)prop-2-enoylamino]benzene-1,3-dicarboxylate
CID 1358416
N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide
CID 134112697
2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 39224162

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate (CID 30855027) is dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is UECSUDLNINGFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO6/c1-20(2,28-16-7-5-14(21)6-8-16)19(25)22-15-10-12(17(23)26-3)9-13(11-15)18(24)27-4/h5-11H,1-4H3,(H,22,25).
What are the key properties of dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 389.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 30855027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).