N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide

C19H16BrFN2O — CID 11395078

IUPACN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide
SMILESO=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc(F)cc1
InChIInChI=1S/C19H16BrFN2O/c20-12-6-9-16-15(10-12)14-2-1-3-17(18(14)22-16)23-19(24)11-4-7-13(21)8-5-11/h4-10,17,22H,1-3H2,(H,23,24)
InChIKeyNUMNOLWLEWXOHU-UHFFFAOYSA-N
MW387.25 g/mol
LogP4.88
Rot. Bonds2

About N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide

N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide (PubChem CID 11395078) has the molecular formula C19H16BrFN2O and a molecular weight of 387.25 g/mol. Its IUPAC name is N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide
PubChem CID11395078
Molecular FormulaC19H16BrFN2O
Molecular Weight387.25 g/mol
Exact Mass386.04
IUPAC NameN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide
SMILESO=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc(F)cc1
InChIInChI=1S/C19H16BrFN2O/c20-12-6-9-16-15(10-12)14-2-1-3-17(18(14)22-16)23-19(24)11-4-7-13(21)8-5-11/h4-10,17,22H,1-3H2,(H,23,24)
InChIKeyNUMNOLWLEWXOHU-UHFFFAOYSA-N
XLogP4.88
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.25
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide?
The IUPAC name of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide (CID 11395078) is N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide?
The canonical SMILES for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide is O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc(F)cc1.
What is the InChIKey of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide?
The InChIKey is NUMNOLWLEWXOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O/c20-12-6-9-16-15(10-12)14-2-1-3-17(18(14)22-16)23-19(24)11-4-7-13(21)8-5-11/h4-10,17,22H,1-3H2,(H,23,24).
What are the key properties of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide?
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide has a molecular weight of 387.25 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide is sourced from PubChem (CID 11395078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).