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

C14H15ClN2O — CID 71826787

IUPACN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
SMILESCC(=O)NC1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C14H15ClN2O/c1-8(18)16-13-4-2-3-10-11-7-9(15)5-6-12(11)17-14(10)13/h5-7,13,17H,2-4H2,1H3,(H,16,18)
InChIKeyFTSSJQUTQHXVCE-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.33
Rot. Bonds1

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

N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide (PubChem CID 71826787) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
PubChem CID71826787
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
SMILESCC(=O)NC1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C14H15ClN2O/c1-8(18)16-13-4-2-3-10-11-7-9(15)5-6-12(11)17-14(10)13/h5-7,13,17H,2-4H2,1H3,(H,16,18)
InChIKeyFTSSJQUTQHXVCE-UHFFFAOYSA-N
XLogP3.33
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide?
The IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide (CID 71826787) is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide.
What is the SMILES notation for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide?
The canonical SMILES for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide is CC(=O)NC1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide?
The InChIKey is FTSSJQUTQHXVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-8(18)16-13-4-2-3-10-11-7-9(15)5-6-12(11)17-14(10)13/h5-7,13,17H,2-4H2,1H3,(H,16,18).
What are the key properties of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide?
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide has a molecular weight of 262.74 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide is sourced from PubChem (CID 71826787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).