2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide

C21H21ClN2O2 — CID 84580341

IUPAC2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
SMILESCc1ccc2[nH]c3c(c2c1)CCC(NC(=O)COc1ccc(Cl)cc1)C3
InChIInChI=1S/C21H21ClN2O2/c1-13-2-9-19-18(10-13)17-8-5-15(11-20(17)24-19)23-21(25)12-26-16-6-3-14(22)4-7-16/h2-4,6-7,9-10,15,24H,5,8,11-12H2,1H3,(H,23,25)
InChIKeyYVIOJSHNQPFEQL-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.18
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide

2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide (PubChem CID 84580341) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
PubChem CID84580341
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
SMILESCc1ccc2[nH]c3c(c2c1)CCC(NC(=O)COc1ccc(Cl)cc1)C3
InChIInChI=1S/C21H21ClN2O2/c1-13-2-9-19-18(10-13)17-8-5-15(11-20(17)24-19)23-21(25)12-26-16-6-3-14(22)4-7-16/h2-4,6-7,9-10,15,24H,5,8,11-12H2,1H3,(H,23,25)
InChIKeyYVIOJSHNQPFEQL-UHFFFAOYSA-N
XLogP4.18
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.18
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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Related Compounds

2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582539
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide
CID 84579968
5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579933
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide
CID 84580220
2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582542
4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84582311
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide
CID 84581192
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-4-oxopentanamide
CID 84581772
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide (CID 84580341) is 2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide is Cc1ccc2[nH]c3c(c2c1)CCC(NC(=O)COc1ccc(Cl)cc1)C3.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide?
The InChIKey is YVIOJSHNQPFEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-13-2-9-19-18(10-13)17-8-5-15(11-20(17)24-19)23-21(25)12-26-16-6-3-14(22)4-7-16/h2-4,6-7,9-10,15,24H,5,8,11-12H2,1H3,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide?
2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide has a molecular weight of 368.86 g/mol, XLogP of 4.18, 4 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-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide is sourced from PubChem (CID 84580341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).