dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate

C18H16FNO6 — CID 17433803

IUPACdimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(OC)cc2F)cc(C(=O)OC)c1
InChIInChI=1S/C18H16FNO6/c1-24-13-4-5-14(15(19)9-13)16(21)20-12-7-10(17(22)25-2)6-11(8-12)18(23)26-3/h4-9H,1-3H3,(H,20,21)
InChIKeyCSVSKFAWZDZNLG-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.66
Rot. Bonds5

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

dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate (PubChem CID 17433803) has the molecular formula C18H16FNO6 and a molecular weight of 361.33 g/mol. Its IUPAC name is dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
PubChem CID17433803
Molecular FormulaC18H16FNO6
Molecular Weight361.33 g/mol
Exact Mass361.10
IUPAC Namedimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(OC)cc2F)cc(C(=O)OC)c1
InChIInChI=1S/C18H16FNO6/c1-24-13-4-5-14(15(19)9-13)16(21)20-12-7-10(17(22)25-2)6-11(8-12)18(23)26-3/h4-9H,1-3H3,(H,20,21)
InChIKeyCSVSKFAWZDZNLG-UHFFFAOYSA-N
XLogP2.66
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate
CID 26586202
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
dimethyl 5-[(5-methoxy-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 47845357
N-[4-(bromomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885234
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947
N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103805146
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38403308
N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885170

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate (CID 17433803) is dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2ccc(OC)cc2F)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is CSVSKFAWZDZNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO6/c1-24-13-4-5-14(15(19)9-13)16(21)20-12-7-10(17(22)25-2)6-11(8-12)18(23)26-3/h4-9H,1-3H3,(H,20,21).
What are the key properties of dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 361.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 17433803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).