N-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide

C21H17NO3 — CID 5305717

IUPACN-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc2c1oc1ccccc12
InChIInChI=1S/C21H17NO3/c1-13-10-11-19(24-2)17(12-13)22-21(23)16-8-5-7-15-14-6-3-4-9-18(14)25-20(15)16/h3-12H,1-2H3,(H,22,23)
InChIKeyYQONFNIGRFMAQI-UHFFFAOYSA-N
MW331.37 g/mol
LogP5.16
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide

N-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide (PubChem CID 5305717) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide
PubChem CID5305717
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC NameN-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc2c1oc1ccccc12
InChIInChI=1S/C21H17NO3/c1-13-10-11-19(24-2)17(12-13)22-21(23)16-8-5-7-15-14-6-3-4-9-18(14)25-20(15)16/h3-12H,1-2H3,(H,22,23)
InChIKeyYQONFNIGRFMAQI-UHFFFAOYSA-N
XLogP5.16
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide (CID 5305717) is N-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide is COc1ccc(C)cc1NC(=O)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide?
The InChIKey is YQONFNIGRFMAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-13-10-11-19(24-2)17(12-13)22-21(23)16-8-5-7-15-14-6-3-4-9-18(14)25-20(15)16/h3-12H,1-2H3,(H,22,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide?
N-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)dibenzofuran-4-carboxamide is sourced from PubChem (CID 5305717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).