6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C13H13ClN2O — CID 5113032

IUPAC6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)
InChIKeyFUZYTVDVLBBXDL-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.73
Rot. Bonds1

About 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (PubChem CID 5113032) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.

Molecular Properties

Compound Name6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
PubChem CID5113032
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)
InChIKeyFUZYTVDVLBBXDL-UHFFFAOYSA-N
XLogP2.73
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The IUPAC name of 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CID 5113032) is 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.
What is the SMILES notation for 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The canonical SMILES for 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The InChIKey is FUZYTVDVLBBXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17).
What are the key properties of 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide has a molecular weight of 248.71 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 5113032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).