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

C19H16BrFN2O — CID 11176676

IUPACN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluorobenzamide
SMILESO=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1F
InChIInChI=1S/C19H16BrFN2O/c20-11-8-9-16-14(10-11)12-5-3-7-17(18(12)22-16)23-19(24)13-4-1-2-6-15(13)21/h1-2,4,6,8-10,17,22H,3,5,7H2,(H,23,24)
InChIKeyRHBOUFQDQUSZQH-UHFFFAOYSA-N
MW387.25 g/mol
LogP4.88
Rot. Bonds2

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

N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluorobenzamide (PubChem CID 11176676) 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)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluorobenzamide
PubChem CID11176676
Molecular FormulaC19H16BrFN2O
Molecular Weight387.25 g/mol
Exact Mass386.04
IUPAC NameN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluorobenzamide
SMILESO=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1F
InChIInChI=1S/C19H16BrFN2O/c20-11-8-9-16-14(10-11)12-5-3-7-17(18(12)22-16)23-19(24)13-4-1-2-6-15(13)21/h1-2,4,6,8-10,17,22H,3,5,7H2,(H,23,24)
InChIKeyRHBOUFQDQUSZQH-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)-2-fluorobenzamide?
The IUPAC name of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluorobenzamide (CID 11176676) is N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluorobenzamide?
The canonical SMILES for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluorobenzamide is O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1F.
What is the InChIKey of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluorobenzamide?
The InChIKey is RHBOUFQDQUSZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O/c20-11-8-9-16-14(10-11)12-5-3-7-17(18(12)22-16)23-19(24)13-4-1-2-6-15(13)21/h1-2,4,6,8-10,17,22H,3,5,7H2,(H,23,24).
What are the key properties of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluorobenzamide?
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-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)-2-fluorobenzamide is sourced from PubChem (CID 11176676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).