dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate

C17H13ClFNO5 — CID 26586202

IUPACdimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(Cl)cc2F)cc(C(=O)OC)c1
InChIInChI=1S/C17H13ClFNO5/c1-24-16(22)9-5-10(17(23)25-2)7-12(6-9)20-15(21)13-4-3-11(18)8-14(13)19/h3-8H,1-2H3,(H,20,21)
InChIKeyMQGQPUSXQPGYQO-UHFFFAOYSA-N
MW365.74 g/mol
LogP3.30
Rot. Bonds4

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

dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate (PubChem CID 26586202) has the molecular formula C17H13ClFNO5 and a molecular weight of 365.74 g/mol. Its IUPAC name is dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate
PubChem CID26586202
Molecular FormulaC17H13ClFNO5
Molecular Weight365.74 g/mol
Exact Mass365.05
IUPAC Namedimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(Cl)cc2F)cc(C(=O)OC)c1
InChIInChI=1S/C17H13ClFNO5/c1-24-16(22)9-5-10(17(23)25-2)7-12(6-9)20-15(21)13-4-3-11(18)8-14(13)19/h3-8H,1-2H3,(H,20,21)
InChIKeyMQGQPUSXQPGYQO-UHFFFAOYSA-N
XLogP3.30
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 17433803
dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 17296382
dimethyl 5-[(5-chloro-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 1358921
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
methyl 3-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbenzoate
CID 94002452
5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63153677
4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 27162860
dimethyl 5-[(2-iodo-4-methylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 100525954
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947
dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate
CID 4810799

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate (CID 26586202) is dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2ccc(Cl)cc2F)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is MQGQPUSXQPGYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO5/c1-24-16(22)9-5-10(17(23)25-2)7-12(6-9)20-15(21)13-4-3-11(18)8-14(13)19/h3-8H,1-2H3,(H,20,21).
What are the key properties of dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 365.74 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 26586202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).