2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid

C20H17NO5 — CID 1254675

IUPAC2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid
SMILESCOc1ccc(C(=O)NCc2oc(-c3ccccc3)cc2C(=O)O)cc1
InChIInChI=1S/C20H17NO5/c1-25-15-9-7-14(8-10-15)19(22)21-12-18-16(20(23)24)11-17(26-18)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyZYICUUHPFRPTHO-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.58
Rot. Bonds6

About 2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid

2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid (PubChem CID 1254675) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid
PubChem CID1254675
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid
SMILESCOc1ccc(C(=O)NCc2oc(-c3ccccc3)cc2C(=O)O)cc1
InChIInChI=1S/C20H17NO5/c1-25-15-9-7-14(8-10-15)19(22)21-12-18-16(20(23)24)11-17(26-18)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyZYICUUHPFRPTHO-UHFFFAOYSA-N
XLogP3.58
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid?
The IUPAC name of 2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid (CID 1254675) is 2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid.
What is the SMILES notation for 2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid?
The canonical SMILES for 2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid is COc1ccc(C(=O)NCc2oc(-c3ccccc3)cc2C(=O)O)cc1.
What is the InChIKey of 2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid?
The InChIKey is ZYICUUHPFRPTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-25-15-9-7-14(8-10-15)19(22)21-12-18-16(20(23)24)11-17(26-18)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid?
2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid has a molecular weight of 351.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxybenzoyl)amino]methyl]-5-phenylfuran-3-carboxylic acid is sourced from PubChem (CID 1254675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).