2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide

C24H23BrN2O2 — CID 4611609

IUPAC2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c(Br)c1
InChIInChI=1S/C24H23BrN2O2/c1-3-16-9-12-23(20(25)13-16)29-15-24(28)26-17-10-11-22-19(14-17)18-7-5-6-8-21(18)27(22)4-2/h5-14H,3-4,15H2,1-2H3,(H,26,28)
InChIKeyWWIPAVZIQOEDPS-UHFFFAOYSA-N
MW451.36 g/mol
LogP6.16
Rot. Bonds6

About 2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide

2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 4611609) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID4611609
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c(Br)c1
InChIInChI=1S/C24H23BrN2O2/c1-3-16-9-12-23(20(25)13-16)29-15-24(28)26-17-10-11-22-19(14-17)18-7-5-6-8-21(18)27(22)4-2/h5-14H,3-4,15H2,1-2H3,(H,26,28)
InChIKeyWWIPAVZIQOEDPS-UHFFFAOYSA-N
XLogP6.16
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide (CID 4611609) is 2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide is CCc1ccc(OCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is WWIPAVZIQOEDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c1-3-16-9-12-23(20(25)13-16)29-15-24(28)26-17-10-11-22-19(14-17)18-7-5-6-8-21(18)27(22)4-2/h5-14H,3-4,15H2,1-2H3,(H,26,28).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide?
2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 451.36 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 4611609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).