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

C15H17ClN2O — CID 2834638

IUPAC2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
SMILESCc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)CCl
InChIInChI=1S/C15H17ClN2O/c1-9-5-6-12-11(7-9)10-3-2-4-13(15(10)18-12)17-14(19)8-16/h5-7,13,18H,2-4,8H2,1H3,(H,17,19)
InChIKeyCCDQWKGFAZYRLI-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.21
Rot. Bonds2

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

2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide (PubChem CID 2834638) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
PubChem CID2834638
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
SMILESCc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)CCl
InChIInChI=1S/C15H17ClN2O/c1-9-5-6-12-11(7-9)10-3-2-4-13(15(10)18-12)17-14(19)8-16/h5-7,13,18H,2-4,8H2,1H3,(H,17,19)
InChIKeyCCDQWKGFAZYRLI-UHFFFAOYSA-N
XLogP3.21
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide?
The IUPAC name of 2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide (CID 2834638) is 2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide is Cc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide?
The InChIKey is CCDQWKGFAZYRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9-5-6-12-11(7-9)10-3-2-4-13(15(10)18-12)17-14(19)8-16/h5-7,13,18H,2-4,8H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide?
2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide has a molecular weight of 276.77 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide is sourced from PubChem (CID 2834638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).