2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide

C15H14N2O3 — CID 712939

IUPAC2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)o1
InChIInChI=1S/C15H14N2O3/c1-10-6-7-11(20-10)8-9-14(18)17-13-5-3-2-4-12(13)15(16)19/h2-9H,1H3,(H2,16,19)(H,17,18)/b9-8+
InChIKeyXWXNPQIHHVMAHM-CMDGGOBGSA-N
MW270.29 g/mol
LogP2.34
Rot. Bonds4

About 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide

2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide (PubChem CID 712939) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide
PubChem CID712939
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)o1
InChIInChI=1S/C15H14N2O3/c1-10-6-7-11(20-10)8-9-14(18)17-13-5-3-2-4-12(13)15(16)19/h2-9H,1H3,(H2,16,19)(H,17,18)/b9-8+
InChIKeyXWXNPQIHHVMAHM-CMDGGOBGSA-N
XLogP2.34
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide?
The IUPAC name of 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide (CID 712939) is 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide is Cc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)o1.
What is the InChIKey of 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide?
The InChIKey is XWXNPQIHHVMAHM-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-6-7-11(20-10)8-9-14(18)17-13-5-3-2-4-12(13)15(16)19/h2-9H,1H3,(H2,16,19)(H,17,18)/b9-8+.
What are the key properties of 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide?
2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide has a molecular weight of 270.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 712939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).