(2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide

C21H19FN6O — CID 132992831

IUPAC(2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NC1CCCc2c1[nH]c1ccc(F)cc21)[C@@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C21H19FN6O/c22-14-9-10-17-16(11-14)15-7-4-8-18(19(15)24-17)25-21(29)20(28-12-23-26-27-28)13-5-2-1-3-6-13/h1-3,5-6,9-12,18,20,24H,4,7-8H2,(H,25,29)/t18?,20-/m1/s1
InChIKeyISAWLKZYMAZQMN-ROPPNANJSA-N
MW390.42 g/mol
LogP3.08
Rot. Bonds4

About (2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide

(2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 132992831) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is (2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID132992831
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name(2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NC1CCCc2c1[nH]c1ccc(F)cc21)[C@@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C21H19FN6O/c22-14-9-10-17-16(11-14)15-7-4-8-18(19(15)24-17)25-21(29)20(28-12-23-26-27-28)13-5-2-1-3-6-13/h1-3,5-6,9-12,18,20,24H,4,7-8H2,(H,25,29)/t18?,20-/m1/s1
InChIKeyISAWLKZYMAZQMN-ROPPNANJSA-N
XLogP3.08
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 132992831) is (2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide is O=C(NC1CCCc2c1[nH]c1ccc(F)cc21)[C@@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is ISAWLKZYMAZQMN-ROPPNANJSA-N. The full InChI is InChI=1S/C21H19FN6O/c22-14-9-10-17-16(11-14)15-7-4-8-18(19(15)24-17)25-21(29)20(28-12-23-26-27-28)13-5-2-1-3-6-13/h1-3,5-6,9-12,18,20,24H,4,7-8H2,(H,25,29)/t18?,20-/m1/s1.
What are the key properties of (2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 390.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 132992831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).