2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide

C21H21ClN2O2 — CID 3557546

IUPAC2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H21ClN2O2/c22-15-6-8-16(9-7-15)26-13-21(25)23-12-14-5-10-20-18(11-14)17-3-1-2-4-19(17)24-20/h5-11,24H,1-4,12-13H2,(H,23,25)
InChIKeyWPMXKPCXZASXQG-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.40
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide

2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide (PubChem CID 3557546) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide
PubChem CID3557546
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H21ClN2O2/c22-15-6-8-16(9-7-15)26-13-21(25)23-12-14-5-10-20-18(11-14)17-3-1-2-4-19(17)24-20/h5-11,24H,1-4,12-13H2,(H,23,25)
InChIKeyWPMXKPCXZASXQG-UHFFFAOYSA-N
XLogP4.40
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide (CID 3557546) is 2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide is O=C(COc1ccc(Cl)cc1)NCc1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide?
The InChIKey is WPMXKPCXZASXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-15-6-8-16(9-7-15)26-13-21(25)23-12-14-5-10-20-18(11-14)17-3-1-2-4-19(17)24-20/h5-11,24H,1-4,12-13H2,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide?
2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide has a molecular weight of 368.86 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide is sourced from PubChem (CID 3557546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).