9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide

C24H16BrFN2OS — CID 174400379

IUPAC9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2Cc1cc(F)ccc1Br
InChIInChI=1S/C24H16BrFN2OS/c25-19-9-7-16(26)11-15(19)13-28-20-4-1-3-18(24(27)29)23(20)17-8-6-14(12-21(17)28)22-5-2-10-30-22/h1-12H,13H2,(H2,27,29)
InChIKeyDVYIPFQJQFXXCU-UHFFFAOYSA-N
MW479.37 g/mol
LogP6.57
Rot. Bonds4

About 9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide

9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide (PubChem CID 174400379) has the molecular formula C24H16BrFN2OS and a molecular weight of 479.37 g/mol. Its IUPAC name is 9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
PubChem CID174400379
Molecular FormulaC24H16BrFN2OS
Molecular Weight479.37 g/mol
Exact Mass478.02
IUPAC Name9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2Cc1cc(F)ccc1Br
InChIInChI=1S/C24H16BrFN2OS/c25-19-9-7-16(26)11-15(19)13-28-20-4-1-3-18(24(27)29)23(20)17-8-6-14(12-21(17)28)22-5-2-10-30-22/h1-12H,13H2,(H2,27,29)
InChIKeyDVYIPFQJQFXXCU-UHFFFAOYSA-N
XLogP6.57
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.37
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2-bromo-5-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414505
9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399417
7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
CID 174414759
9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174418430
9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174414157
9-[(2-chloro-6-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174423994
9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399764
9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174417849
7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423912
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399494
9-[(2,5-difluorophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 174400744

Frequently Asked Questions

What is the IUPAC name of 9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
The IUPAC name of 9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide (CID 174400379) is 9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2Cc1cc(F)ccc1Br.
What is the InChIKey of 9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
The InChIKey is DVYIPFQJQFXXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrFN2OS/c25-19-9-7-16(26)11-15(19)13-28-20-4-1-3-18(24(27)29)23(20)17-8-6-14(12-21(17)28)22-5-2-10-30-22/h1-12H,13H2,(H2,27,29).
What are the key properties of 9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide has a molecular weight of 479.37 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide is sourced from PubChem (CID 174400379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).