9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide

C24H16BrFN2O2 — CID 174414316

IUPAC9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1ccc(Br)cc1F
InChIInChI=1S/C24H16BrFN2O2/c25-16-8-6-15(19(26)12-16)13-28-20-4-1-3-18(24(27)29)23(20)17-9-7-14(11-21(17)28)22-5-2-10-30-22/h1-12H,13H2,(H2,27,29)
InChIKeyCLTDYJPGURLPSV-UHFFFAOYSA-N
MW463.31 g/mol
LogP6.10
Rot. Bonds4

About 9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide

9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide (PubChem CID 174414316) has the molecular formula C24H16BrFN2O2 and a molecular weight of 463.31 g/mol. Its IUPAC name is 9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
PubChem CID174414316
Molecular FormulaC24H16BrFN2O2
Molecular Weight463.31 g/mol
Exact Mass462.04
IUPAC Name9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1ccc(Br)cc1F
InChIInChI=1S/C24H16BrFN2O2/c25-16-8-6-15(19(26)12-16)13-28-20-4-1-3-18(24(27)29)23(20)17-9-7-14(11-21(17)28)22-5-2-10-30-22/h1-12H,13H2,(H2,27,29)
InChIKeyCLTDYJPGURLPSV-UHFFFAOYSA-N
XLogP6.10
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.31
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The IUPAC name of 9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide (CID 174414316) is 9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1ccc(Br)cc1F.
What is the InChIKey of 9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The InChIKey is CLTDYJPGURLPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrFN2O2/c25-16-8-6-15(19(26)12-16)13-28-20-4-1-3-18(24(27)29)23(20)17-9-7-14(11-21(17)28)22-5-2-10-30-22/h1-12H,13H2,(H2,27,29).
What are the key properties of 9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide has a molecular weight of 463.31 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide is sourced from PubChem (CID 174414316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).