1-acetamidobenzo[e][1]benzofuran-2-carboxamide

C15H12N2O3 — CID 23148944

IUPAC1-acetamidobenzo[e][1]benzofuran-2-carboxamide
SMILESCC(=O)Nc1c(C(N)=O)oc2ccc3ccccc3c12
InChIInChI=1S/C15H12N2O3/c1-8(18)17-13-12-10-5-3-2-4-9(10)6-7-11(12)20-14(13)15(16)19/h2-7H,1H3,(H2,16,19)(H,17,18)
InChIKeyHFICZROKDQRNBX-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.64
Rot. Bonds2

About 1-acetamidobenzo[e][1]benzofuran-2-carboxamide

1-acetamidobenzo[e][1]benzofuran-2-carboxamide (PubChem CID 23148944) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-acetamidobenzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name1-acetamidobenzo[e][1]benzofuran-2-carboxamide
PubChem CID23148944
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1-acetamidobenzo[e][1]benzofuran-2-carboxamide
SMILESCC(=O)Nc1c(C(N)=O)oc2ccc3ccccc3c12
InChIInChI=1S/C15H12N2O3/c1-8(18)17-13-12-10-5-3-2-4-9(10)6-7-11(12)20-14(13)15(16)19/h2-7H,1H3,(H2,16,19)(H,17,18)
InChIKeyHFICZROKDQRNBX-UHFFFAOYSA-N
XLogP2.64
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetamidobenzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of 1-acetamidobenzo[e][1]benzofuran-2-carboxamide (CID 23148944) is 1-acetamidobenzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for 1-acetamidobenzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for 1-acetamidobenzo[e][1]benzofuran-2-carboxamide is CC(=O)Nc1c(C(N)=O)oc2ccc3ccccc3c12.
What is the InChIKey of 1-acetamidobenzo[e][1]benzofuran-2-carboxamide?
The InChIKey is HFICZROKDQRNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-8(18)17-13-12-10-5-3-2-4-9(10)6-7-11(12)20-14(13)15(16)19/h2-7H,1H3,(H2,16,19)(H,17,18).
What are the key properties of 1-acetamidobenzo[e][1]benzofuran-2-carboxamide?
1-acetamidobenzo[e][1]benzofuran-2-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamidobenzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 23148944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).