N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide

C19H23ClN2O — CID 46098119

IUPACN-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide
SMILESCc1cc(Cl)cc2c3c([nH]c12)CCC(NC(=O)C1CCCC1)C3
InChIInChI=1S/C19H23ClN2O/c1-11-8-13(20)9-16-15-10-14(6-7-17(15)22-18(11)16)21-19(23)12-4-2-3-5-12/h8-9,12,14,22H,2-7,10H2,1H3,(H,21,23)
InChIKeyZVUYLIYIZQGLON-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.29
Rot. Bonds2

About N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide

N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide (PubChem CID 46098119) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide
PubChem CID46098119
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide
SMILESCc1cc(Cl)cc2c3c([nH]c12)CCC(NC(=O)C1CCCC1)C3
InChIInChI=1S/C19H23ClN2O/c1-11-8-13(20)9-16-15-10-14(6-7-17(15)22-18(11)16)21-19(23)12-4-2-3-5-12/h8-9,12,14,22H,2-7,10H2,1H3,(H,21,23)
InChIKeyZVUYLIYIZQGLON-UHFFFAOYSA-N
XLogP4.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.29
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-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide?
The IUPAC name of N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide (CID 46098119) is N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide is Cc1cc(Cl)cc2c3c([nH]c12)CCC(NC(=O)C1CCCC1)C3.
What is the InChIKey of N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide?
The InChIKey is ZVUYLIYIZQGLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-11-8-13(20)9-16-15-10-14(6-7-17(15)22-18(11)16)21-19(23)12-4-2-3-5-12/h8-9,12,14,22H,2-7,10H2,1H3,(H,21,23).
What are the key properties of N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide?
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide has a molecular weight of 330.86 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclopentanecarboxamide is sourced from PubChem (CID 46098119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).