2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide

C19H20Cl2N2O — CID 46098139

IUPAC2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide
SMILESO=C(CC1C=CCC1)NC1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1
InChIInChI=1S/C19H20Cl2N2O/c20-12-8-15(21)19-14-10-13(5-6-16(14)23-17(19)9-12)22-18(24)7-11-3-1-2-4-11/h1,3,8-9,11,13,23H,2,4-7,10H2,(H,22,24)
InChIKeyHLWZRJMETXVYSG-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.80
Rot. Bonds3

About 2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide

2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide (PubChem CID 46098139) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide
PubChem CID46098139
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide
SMILESO=C(CC1C=CCC1)NC1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1
InChIInChI=1S/C19H20Cl2N2O/c20-12-8-15(21)19-14-10-13(5-6-16(14)23-17(19)9-12)22-18(24)7-11-3-1-2-4-11/h1,3,8-9,11,13,23H,2,4-7,10H2,(H,22,24)
InChIKeyHLWZRJMETXVYSG-UHFFFAOYSA-N
XLogP4.80
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide (CID 46098139) is 2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide is O=C(CC1C=CCC1)NC1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide?
The InChIKey is HLWZRJMETXVYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-12-8-15(21)19-14-10-13(5-6-16(14)23-17(19)9-12)22-18(24)7-11-3-1-2-4-11/h1,3,8-9,11,13,23H,2,4-7,10H2,(H,22,24).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide?
2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide has a molecular weight of 363.29 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide is sourced from PubChem (CID 46098139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).