methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate

C13H9BrFNO4 — CID 106852805

IUPACmethyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)c2ccoc2Br)c1
InChIInChI=1S/C13H9BrFNO4/c1-19-13(18)7-2-3-9(15)10(6-7)16-12(17)8-4-5-20-11(8)14/h2-6H,1H3,(H,16,17)
InChIKeyMFQLYWBEPJEXEQ-UHFFFAOYSA-N
MW342.12 g/mol
LogP3.22
Rot. Bonds3

About methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate

methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate (PubChem CID 106852805) has the molecular formula C13H9BrFNO4 and a molecular weight of 342.12 g/mol. Its IUPAC name is methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate
PubChem CID106852805
Molecular FormulaC13H9BrFNO4
Molecular Weight342.12 g/mol
Exact Mass340.97
IUPAC Namemethyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)c2ccoc2Br)c1
InChIInChI=1S/C13H9BrFNO4/c1-19-13(18)7-2-3-9(15)10(6-7)16-12(17)8-4-5-20-11(8)14/h2-6H,1H3,(H,16,17)
InChIKeyMFQLYWBEPJEXEQ-UHFFFAOYSA-N
XLogP3.22
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-methylbenzoate
CID 106852729
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
CID 106852836
2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
CID 106854464
methyl 3-[(5-bromopyridine-2-carbonyl)amino]-4-fluorobenzoate
CID 62953371
2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide
CID 106899056
ethyl 3-bromo-4-[(2-bromofuran-3-carbonyl)amino]benzoate
CID 106853094
methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63998429
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]-4-fluorobenzoate
CID 38939880
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid
CID 106851150
methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
CID 106853285
methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate
CID 7920475

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate?
The IUPAC name of methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate (CID 106852805) is methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate.
What is the SMILES notation for methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate?
The canonical SMILES for methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate is COC(=O)c1ccc(F)c(NC(=O)c2ccoc2Br)c1.
What is the InChIKey of methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate?
The InChIKey is MFQLYWBEPJEXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO4/c1-19-13(18)7-2-3-9(15)10(6-7)16-12(17)8-4-5-20-11(8)14/h2-6H,1H3,(H,16,17).
What are the key properties of methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate?
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate has a molecular weight of 342.12 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate is sourced from PubChem (CID 106852805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).