methyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate

C14H12BrNO4 — CID 2233483

IUPACmethyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H12BrNO4/c1-19-13(17)8-9-2-4-10(5-3-9)16-14(18)11-6-7-12(15)20-11/h2-7H,8H2,1H3,(H,16,18)
InChIKeyVGPQELULDQJLRZ-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.01
Rot. Bonds4

About methyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate

methyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate (PubChem CID 2233483) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is methyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate
PubChem CID2233483
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Namemethyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H12BrNO4/c1-19-13(17)8-9-2-4-10(5-3-9)16-14(18)11-6-7-12(15)20-11/h2-7H,8H2,1H3,(H,16,18)
InChIKeyVGPQELULDQJLRZ-UHFFFAOYSA-N
XLogP3.01
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate (CID 2233483) is methyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate is COC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of methyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate?
The InChIKey is VGPQELULDQJLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c1-19-13(17)8-9-2-4-10(5-3-9)16-14(18)11-6-7-12(15)20-11/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of methyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate?
methyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate has a molecular weight of 338.16 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetate is sourced from PubChem (CID 2233483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).