[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate

C15H13BrFNO4 — CID 55404838

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
SMILESCN(Cc1ccco1)C(=O)COC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C15H13BrFNO4/c1-18(8-11-3-2-6-21-11)14(19)9-22-15(20)12-7-10(17)4-5-13(12)16/h2-7H,8-9H2,1H3
InChIKeyQKXRNICEDAJXEK-UHFFFAOYSA-N
MW370.17 g/mol
LogP3.00
Rot. Bonds5

About [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate (PubChem CID 55404838) has the molecular formula C15H13BrFNO4 and a molecular weight of 370.17 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
PubChem CID55404838
Molecular FormulaC15H13BrFNO4
Molecular Weight370.17 g/mol
Exact Mass369.00
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
SMILESCN(Cc1ccco1)C(=O)COC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C15H13BrFNO4/c1-18(8-11-3-2-6-21-11)14(19)9-22-15(20)12-7-10(17)4-5-13(12)16/h2-7H,8-9H2,1H3
InChIKeyQKXRNICEDAJXEK-UHFFFAOYSA-N
XLogP3.00
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404837
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 42983952
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate
CID 30992535
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 32962209
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 7583235
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404716
2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43527060
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837530
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 8987555
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837303
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate
CID 56806663
2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide
CID 56782757

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate (CID 55404838) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate is CN(Cc1ccco1)C(=O)COC(=O)c1cc(F)ccc1Br.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate?
The InChIKey is QKXRNICEDAJXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO4/c1-18(8-11-3-2-6-21-11)14(19)9-22-15(20)12-7-10(17)4-5-13(12)16/h2-7H,8-9H2,1H3.
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate has a molecular weight of 370.17 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate is sourced from PubChem (CID 55404838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).