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

C13H9BrClNO4 — CID 106852836

IUPACmethyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ccoc2Br)c1
InChIInChI=1S/C13H9BrClNO4/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)
InChIKeyLWDVKMVNCFHCSA-UHFFFAOYSA-N
MW358.58 g/mol
LogP3.73
Rot. Bonds3

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

methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate (PubChem CID 106852836) has the molecular formula C13H9BrClNO4 and a molecular weight of 358.58 g/mol. Its IUPAC name is methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
PubChem CID106852836
Molecular FormulaC13H9BrClNO4
Molecular Weight358.58 g/mol
Exact Mass356.94
IUPAC Namemethyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ccoc2Br)c1
InChIInChI=1S/C13H9BrClNO4/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)
InChIKeyLWDVKMVNCFHCSA-UHFFFAOYSA-N
XLogP3.73
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.58
LogP ≤ 53.73
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-fluorobenzoate
CID 106852805
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
CID 106850739
2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide
CID 106899056
4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683323
methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 92679714
ethyl 3-bromo-4-[(2-bromofuran-3-carbonyl)amino]benzoate
CID 106853094
N-(5-carbamoyl-2-chlorophenyl)-2-chlorofuran-3-carboxamide
CID 106685896
methyl 4-chloro-3-[(4-methylpyrimidine-5-carbonyl)amino]benzoate
CID 110861800
methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate
CID 107518080

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate (CID 106852836) is methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2ccoc2Br)c1.
What is the InChIKey of methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate?
The InChIKey is LWDVKMVNCFHCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO4/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-chlorobenzoate?
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate has a molecular weight of 358.58 g/mol, XLogP of 3.73, 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-chlorobenzoate is sourced from PubChem (CID 106852836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).