2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide

C24H23ClN2O2 — CID 4611607

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21
InChIInChI=1S/C24H23ClN2O2/c1-4-27-21-8-6-5-7-19(21)20-13-17(9-10-22(20)27)26-23(28)14-29-18-11-15(2)24(25)16(3)12-18/h5-13H,4,14H2,1-3H3,(H,26,28)
InChIKeyAGSNWFLMAFZPAG-UHFFFAOYSA-N
MW406.91 g/mol
LogP6.10
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 4611607) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID4611607
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21
InChIInChI=1S/C24H23ClN2O2/c1-4-27-21-8-6-5-7-19(21)20-13-17(9-10-22(20)27)26-23(28)14-29-18-11-15(2)24(25)16(3)12-18/h5-13H,4,14H2,1-3H3,(H,26,28)
InChIKeyAGSNWFLMAFZPAG-UHFFFAOYSA-N
XLogP6.10
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9-ethyl-9H-carbazol-3-yl)-2-phenoxyacetamide
CID 1717907
N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide
CID 4200910
N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide
CID 4606333
N-(9-ethyl-9H-carbazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 3324655
2-(2,5-dimethylphenoxy)-N-(9-ethyl-9H-carbazol-3-yl)acetamide
CID 1808648
N-(9-ethyl-9H-carbazol-3-yl)-2-(4-methoxyphenoxy)propanamide
CID 2951670
N-(9-ethylcarbazol-3-yl)-2-phenoxypropanamide
CID 3579545
2-(2-bromo-4-ethylphenoxy)-N-(9-ethyl-9H-carbazol-3-yl)acetamide
CID 4611609
N-(1-methylindol-5-yl)-2-(2-methylphenoxy)acetamide
CID 155518161
2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 155559210
N-(9-ethyl-9H-carbazol-3-yl)-2-(3-methylphenoxy)acetamide
CID 3596671
N-(9-ethyl-9H-carbazol-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 2120723

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide (CID 4611607) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is AGSNWFLMAFZPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-4-27-21-8-6-5-7-19(21)20-13-17(9-10-22(20)27)26-23(28)14-29-18-11-15(2)24(25)16(3)12-18/h5-13H,4,14H2,1-3H3,(H,26,28).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 406.91 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 4611607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).