N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide

C20H19ClN2O2 — CID 71828490

IUPACN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C20H19ClN2O2/c21-16-10-4-8-14-15-9-5-11-17(20(15)23-19(14)16)22-18(24)12-25-13-6-2-1-3-7-13/h1-4,6-8,10,17,23H,5,9,11-12H2,(H,22,24)
InChIKeyPFGOSDKLSCHLQB-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.39
Rot. Bonds4

About N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide (PubChem CID 71828490) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide
PubChem CID71828490
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C20H19ClN2O2/c21-16-10-4-8-14-15-9-5-11-17(20(15)23-19(14)16)22-18(24)12-25-13-6-2-1-3-7-13/h1-4,6-8,10,17,23H,5,9,11-12H2,(H,22,24)
InChIKeyPFGOSDKLSCHLQB-UHFFFAOYSA-N
XLogP4.39
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.39
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 N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide?
The IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide (CID 71828490) is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)NC1CCCc2c1[nH]c1c(Cl)cccc21.
What is the InChIKey of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide?
The InChIKey is PFGOSDKLSCHLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-16-10-4-8-14-15-9-5-11-17(20(15)23-19(14)16)22-18(24)12-25-13-6-2-1-3-7-13/h1-4,6-8,10,17,23H,5,9,11-12H2,(H,22,24).
What are the key properties of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide?
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide has a molecular weight of 354.84 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenoxyacetamide is sourced from PubChem (CID 71828490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).