dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate

C18H15F2NO5 — CID 102407593

IUPACdimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(NC(=O)Cc2cc(F)ccc2F)cc1C(=O)OC
InChIInChI=1S/C18H15F2NO5/c1-25-17(23)13-5-4-12(9-14(13)18(24)26-2)21-16(22)8-10-7-11(19)3-6-15(10)20/h3-7,9H,8H2,1-2H3,(H,21,22)
InChIKeyLPXRNFDBOWNQRG-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.72
Rot. Bonds5

About dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate

dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate (PubChem CID 102407593) has the molecular formula C18H15F2NO5 and a molecular weight of 363.32 g/mol. Its IUPAC name is dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate
PubChem CID102407593
Molecular FormulaC18H15F2NO5
Molecular Weight363.32 g/mol
Exact Mass363.09
IUPAC Namedimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(NC(=O)Cc2cc(F)ccc2F)cc1C(=O)OC
InChIInChI=1S/C18H15F2NO5/c1-25-17(23)13-5-4-12(9-14(13)18(24)26-2)21-16(22)8-10-7-11(19)3-6-15(10)20/h3-7,9H,8H2,1-2H3,(H,21,22)
InChIKeyLPXRNFDBOWNQRG-UHFFFAOYSA-N
XLogP2.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
CID 139348053
dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate
CID 102407595
methyl 5-[(2-chloroacetyl)amino]-2-fluorobenzoate
CID 43346810
methyl 2-acetyloxy-5-[[2-[5-fluoro-2-(trifluoromethyl)phenyl]acetyl]amino]benzoate
CID 142683884
methyl 4-[(2,5-difluorophenyl)methylamino]benzoate
CID 43312807
2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 84589209
methyl 5-[(2-cyanoacetyl)amino]-2-fluorobenzoate
CID 168520431
methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 172548040
methyl 4-fluoro-2-(methoxymethyl)benzoate
CID 21075354
methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 112686654
2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
CID 75374354
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate (CID 102407593) is dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate is COC(=O)c1ccc(NC(=O)Cc2cc(F)ccc2F)cc1C(=O)OC.
What is the InChIKey of dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate?
The InChIKey is LPXRNFDBOWNQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO5/c1-25-17(23)13-5-4-12(9-14(13)18(24)26-2)21-16(22)8-10-7-11(19)3-6-15(10)20/h3-7,9H,8H2,1-2H3,(H,21,22).
What are the key properties of dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate?
dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate has a molecular weight of 363.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate is sourced from PubChem (CID 102407593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).