methyl 3-[(2,4-difluorobenzoyl)amino]benzoate

C15H11F2NO3 — CID 40652964

IUPACmethyl 3-[(2,4-difluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C15H11F2NO3/c1-21-15(20)9-3-2-4-11(7-9)18-14(19)12-6-5-10(16)8-13(12)17/h2-8H,1H3,(H,18,19)
InChIKeyPFPFITVFRQGZDT-UHFFFAOYSA-N
MW291.25 g/mol
LogP3.00
Rot. Bonds3

About methyl 3-[(2,4-difluorobenzoyl)amino]benzoate

methyl 3-[(2,4-difluorobenzoyl)amino]benzoate (PubChem CID 40652964) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is methyl 3-[(2,4-difluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2,4-difluorobenzoyl)amino]benzoate
PubChem CID40652964
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Namemethyl 3-[(2,4-difluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C15H11F2NO3/c1-21-15(20)9-3-2-4-11(7-9)18-14(19)12-6-5-10(16)8-13(12)17/h2-8H,1H3,(H,18,19)
InChIKeyPFPFITVFRQGZDT-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]benzoate
CID 30493006
methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate
CID 113205725
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2676410
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate
CID 26586202
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
CID 103706368
dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 17433803
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-difluorobenzoyl)amino]benzoate?
The IUPAC name of methyl 3-[(2,4-difluorobenzoyl)amino]benzoate (CID 40652964) is methyl 3-[(2,4-difluorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2,4-difluorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2,4-difluorobenzoyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of methyl 3-[(2,4-difluorobenzoyl)amino]benzoate?
The InChIKey is PFPFITVFRQGZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c1-21-15(20)9-3-2-4-11(7-9)18-14(19)12-6-5-10(16)8-13(12)17/h2-8H,1H3,(H,18,19).
What are the key properties of methyl 3-[(2,4-difluorobenzoyl)amino]benzoate?
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate has a molecular weight of 291.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-difluorobenzoyl)amino]benzoate is sourced from PubChem (CID 40652964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).