9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide

C20H20N2O — CID 2915068

IUPAC9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide
SMILESNC(=O)C1CCCc2c1n(Cc1ccccc1)c1ccccc21
InChIInChI=1S/C20H20N2O/c21-20(23)17-11-6-10-16-15-9-4-5-12-18(15)22(19(16)17)13-14-7-2-1-3-8-14/h1-5,7-9,12,17H,6,10-11,13H2,(H2,21,23)
InChIKeyDLDVEAOFGGHINB-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.59
Rot. Bonds3

About 9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide

9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide (PubChem CID 2915068) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide.

Molecular Properties

Compound Name9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide
PubChem CID2915068
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide
SMILESNC(=O)C1CCCc2c1n(Cc1ccccc1)c1ccccc21
InChIInChI=1S/C20H20N2O/c21-20(23)17-11-6-10-16-15-9-4-5-12-18(15)22(19(16)17)13-14-7-2-1-3-8-14/h1-5,7-9,12,17H,6,10-11,13H2,(H2,21,23)
InChIKeyDLDVEAOFGGHINB-UHFFFAOYSA-N
XLogP3.59
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide?
The IUPAC name of 9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide (CID 2915068) is 9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide.
What is the SMILES notation for 9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide?
The canonical SMILES for 9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide is NC(=O)C1CCCc2c1n(Cc1ccccc1)c1ccccc21.
What is the InChIKey of 9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide?
The InChIKey is DLDVEAOFGGHINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c21-20(23)17-11-6-10-16-15-9-4-5-12-18(15)22(19(16)17)13-14-7-2-1-3-8-14/h1-5,7-9,12,17H,6,10-11,13H2,(H2,21,23).
What are the key properties of 9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide?
9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carboxamide is sourced from PubChem (CID 2915068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).