methyl 2-(1-benzofuran-3-ylmethylamino)benzoate

C17H15NO3 — CID 80701199

IUPACmethyl 2-(1-benzofuran-3-ylmethylamino)benzoate
SMILESCOC(=O)c1ccccc1NCc1coc2ccccc12
InChIInChI=1S/C17H15NO3/c1-20-17(19)14-7-2-4-8-15(14)18-10-12-11-21-16-9-5-3-6-13(12)16/h2-9,11,18H,10H2,1H3
InChIKeyUDDLJRBXVIRHEP-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.83
Rot. Bonds4

About methyl 2-(1-benzofuran-3-ylmethylamino)benzoate

methyl 2-(1-benzofuran-3-ylmethylamino)benzoate (PubChem CID 80701199) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-(1-benzofuran-3-ylmethylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(1-benzofuran-3-ylmethylamino)benzoate
PubChem CID80701199
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 2-(1-benzofuran-3-ylmethylamino)benzoate
SMILESCOC(=O)c1ccccc1NCc1coc2ccccc12
InChIInChI=1S/C17H15NO3/c1-20-17(19)14-7-2-4-8-15(14)18-10-12-11-21-16-9-5-3-6-13(12)16/h2-9,11,18H,10H2,1H3
InChIKeyUDDLJRBXVIRHEP-UHFFFAOYSA-N
XLogP3.83
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate
CID 43774551
2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide
CID 80700430
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline
CID 80700432
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
methyl 2-(1-benzofuran-3-ylmethylamino)-2-methylpropanoate
CID 80700686
5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
CID 104608185
N-(1-benzofuran-3-ylmethyl)-3-chloro-2-methylaniline
CID 80701190
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzofuran-3-ylmethylamino)benzoate?
The IUPAC name of methyl 2-(1-benzofuran-3-ylmethylamino)benzoate (CID 80701199) is methyl 2-(1-benzofuran-3-ylmethylamino)benzoate.
What is the SMILES notation for methyl 2-(1-benzofuran-3-ylmethylamino)benzoate?
The canonical SMILES for methyl 2-(1-benzofuran-3-ylmethylamino)benzoate is COC(=O)c1ccccc1NCc1coc2ccccc12.
What is the InChIKey of methyl 2-(1-benzofuran-3-ylmethylamino)benzoate?
The InChIKey is UDDLJRBXVIRHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-17(19)14-7-2-4-8-15(14)18-10-12-11-21-16-9-5-3-6-13(12)16/h2-9,11,18H,10H2,1H3.
What are the key properties of methyl 2-(1-benzofuran-3-ylmethylamino)benzoate?
methyl 2-(1-benzofuran-3-ylmethylamino)benzoate has a molecular weight of 281.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzofuran-3-ylmethylamino)benzoate is sourced from PubChem (CID 80701199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).