methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate

C13H10BrNO4 — CID 728836

IUPACmethyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H10BrNO4/c1-18-13(17)8-4-2-3-5-9(8)15-12(16)10-6-7-11(14)19-10/h2-7H,1H3,(H,15,16)
InChIKeyRSVFENLSGLZPGD-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.08
Rot. Bonds3

About methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate

methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate (PubChem CID 728836) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
PubChem CID728836
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Namemethyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H10BrNO4/c1-18-13(17)8-4-2-3-5-9(8)15-12(16)10-6-7-11(14)19-10/h2-7H,1H3,(H,15,16)
InChIKeyRSVFENLSGLZPGD-UHFFFAOYSA-N
XLogP3.08
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
CID 106999674
methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225311
methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate
CID 3641679
5-bromo-N-[2-(butanoylamino)phenyl]furan-2-carboxamide
CID 1297850
methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate
CID 2814404
5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 171985742
5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide
CID 47310866
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2530916

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate (CID 728836) is methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate?
The InChIKey is RSVFENLSGLZPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c1-18-13(17)8-4-2-3-5-9(8)15-12(16)10-6-7-11(14)19-10/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate?
methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate has a molecular weight of 324.13 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 728836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).