N-dibenzofuran-3-yl-4-ethoxybenzamide

C21H17NO3 — CID 3111809

IUPACN-dibenzofuran-3-yl-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C21H17NO3/c1-2-24-16-10-7-14(8-11-16)21(23)22-15-9-12-18-17-5-3-4-6-19(17)25-20(18)13-15/h3-13H,2H2,1H3,(H,22,23)
InChIKeyLWBXEAYZKLKMKI-UHFFFAOYSA-N
MW331.37 g/mol
LogP5.24
Rot. Bonds4

About N-dibenzofuran-3-yl-4-ethoxybenzamide

N-dibenzofuran-3-yl-4-ethoxybenzamide (PubChem CID 3111809) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-4-ethoxybenzamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-4-ethoxybenzamide
PubChem CID3111809
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC NameN-dibenzofuran-3-yl-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C21H17NO3/c1-2-24-16-10-7-14(8-11-16)21(23)22-15-9-12-18-17-5-3-4-6-19(17)25-20(18)13-15/h3-13H,2H2,1H3,(H,22,23)
InChIKeyLWBXEAYZKLKMKI-UHFFFAOYSA-N
XLogP5.24
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-4-ethoxybenzamide?
The IUPAC name of N-dibenzofuran-3-yl-4-ethoxybenzamide (CID 3111809) is N-dibenzofuran-3-yl-4-ethoxybenzamide.
What is the SMILES notation for N-dibenzofuran-3-yl-4-ethoxybenzamide?
The canonical SMILES for N-dibenzofuran-3-yl-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-4-ethoxybenzamide?
The InChIKey is LWBXEAYZKLKMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-2-24-16-10-7-14(8-11-16)21(23)22-15-9-12-18-17-5-3-4-6-19(17)25-20(18)13-15/h3-13H,2H2,1H3,(H,22,23).
What are the key properties of N-dibenzofuran-3-yl-4-ethoxybenzamide?
N-dibenzofuran-3-yl-4-ethoxybenzamide has a molecular weight of 331.37 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-4-ethoxybenzamide is sourced from PubChem (CID 3111809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).