(1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C13H12ClFN2O — CID 70308607

IUPAC(1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESNC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)c(F)c21
InChIInChI=1S/C13H12ClFN2O/c14-8-4-5-9-10(11(8)15)6-2-1-3-7(13(16)18)12(6)17-9/h4-5,7,17H,1-3H2,(H2,16,18)/t7-/m0/s1
InChIKeyHCNDZZFHIFMFPM-ZETCQYMHSA-N
MW266.70 g/mol
LogP2.87
Rot. Bonds1

About (1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

(1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (PubChem CID 70308607) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is (1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.

Molecular Properties

Compound Name(1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
PubChem CID70308607
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name(1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESNC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)c(F)c21
InChIInChI=1S/C13H12ClFN2O/c14-8-4-5-9-10(11(8)15)6-2-1-3-7(13(16)18)12(6)17-9/h4-5,7,17H,1-3H2,(H2,16,18)/t7-/m0/s1
InChIKeyHCNDZZFHIFMFPM-ZETCQYMHSA-N
XLogP2.87
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The IUPAC name of (1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CID 70308607) is (1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.
What is the SMILES notation for (1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The canonical SMILES for (1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)c(F)c21.
What is the InChIKey of (1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The InChIKey is HCNDZZFHIFMFPM-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-8-4-5-9-10(11(8)15)6-2-1-3-7(13(16)18)12(6)17-9/h4-5,7,17H,1-3H2,(H2,16,18)/t7-/m0/s1.
What are the key properties of (1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
(1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide has a molecular weight of 266.70 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 70308607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).