methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate

C21H19BrN2O5 — CID 46450917

IUPACmethyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C21H19BrN2O5/c1-27-21(26)15-12-14(24-7-9-28-10-8-24)5-6-17(15)23-20(25)18-11-13-3-2-4-16(22)19(13)29-18/h2-6,11-12H,7-10H2,1H3,(H,23,25)
InChIKeyGPGJYLIIFXEVIT-UHFFFAOYSA-N
MW459.30 g/mol
LogP4.07
Rot. Bonds4

About methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate

methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate (PubChem CID 46450917) has the molecular formula C21H19BrN2O5 and a molecular weight of 459.30 g/mol. Its IUPAC name is methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
PubChem CID46450917
Molecular FormulaC21H19BrN2O5
Molecular Weight459.30 g/mol
Exact Mass458.05
IUPAC Namemethyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C21H19BrN2O5/c1-27-21(26)15-12-14(24-7-9-28-10-8-24)5-6-17(15)23-20(25)18-11-13-3-2-4-16(22)19(13)29-18/h2-6,11-12H,7-10H2,1H3,(H,23,25)
InChIKeyGPGJYLIIFXEVIT-UHFFFAOYSA-N
XLogP4.07
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate with MolForge

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Related Compounds

methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
CID 56523449
7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 38910561
methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 71881377
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
CID 38928922
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]-4-methylbenzoate
CID 38908619
methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840970
methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate
CID 55670752
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]-4-fluorobenzoate
CID 38939880
methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 55670935
methyl 2-[[2-(methylamino)acetyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840940
methyl 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]-5-morpholin-4-ylbenzoate
CID 56523034
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate (CID 46450917) is methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate is COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate?
The InChIKey is GPGJYLIIFXEVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O5/c1-27-21(26)15-12-14(24-7-9-28-10-8-24)5-6-17(15)23-20(25)18-11-13-3-2-4-16(22)19(13)29-18/h2-6,11-12H,7-10H2,1H3,(H,23,25).
What are the key properties of methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate?
methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate has a molecular weight of 459.30 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate is sourced from PubChem (CID 46450917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).