N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide

C24H22ClNO2 — CID 7920539

IUPACN-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1oc2c(ccc3ccccc32)c1C
InChIInChI=1S/C24H22ClNO2/c1-4-15-11-13-20(25)17(5-2)21(15)26-24(27)22-14(3)18-12-10-16-8-6-7-9-19(16)23(18)28-22/h6-13H,4-5H2,1-3H3,(H,26,27)
InChIKeyYDDKKJHFJVDFCU-UHFFFAOYSA-N
MW391.90 g/mol
LogP6.92
Rot. Bonds4

About N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide

N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide (PubChem CID 7920539) has the molecular formula C24H22ClNO2 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
PubChem CID7920539
Molecular FormulaC24H22ClNO2
Molecular Weight391.90 g/mol
Exact Mass391.13
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1oc2c(ccc3ccccc32)c1C
InChIInChI=1S/C24H22ClNO2/c1-4-15-11-13-20(25)17(5-2)21(15)26-24(27)22-14(3)18-12-10-16-8-6-7-9-19(16)23(18)28-22/h6-13H,4-5H2,1-3H3,(H,26,27)
InChIKeyYDDKKJHFJVDFCU-UHFFFAOYSA-N
XLogP6.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide (CID 7920539) is N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide is CCc1ccc(Cl)c(CC)c1NC(=O)c1oc2c(ccc3ccccc32)c1C.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is YDDKKJHFJVDFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO2/c1-4-15-11-13-20(25)17(5-2)21(15)26-24(27)22-14(3)18-12-10-16-8-6-7-9-19(16)23(18)28-22/h6-13H,4-5H2,1-3H3,(H,26,27).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 7920539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).