9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide

C24H16F2N2OS — CID 174399417

IUPAC9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2Cc1c(F)cccc1F
InChIInChI=1S/C24H16F2N2OS/c25-18-5-2-6-19(26)17(18)13-28-20-7-1-4-16(24(27)29)23(20)15-10-9-14(12-21(15)28)22-8-3-11-30-22/h1-12H,13H2,(H2,27,29)
InChIKeyRXTHWRPVNHCBQQ-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.95
Rot. Bonds4

About 9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide

9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide (PubChem CID 174399417) has the molecular formula C24H16F2N2OS and a molecular weight of 418.47 g/mol. Its IUPAC name is 9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
PubChem CID174399417
Molecular FormulaC24H16F2N2OS
Molecular Weight418.47 g/mol
Exact Mass418.10
IUPAC Name9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2Cc1c(F)cccc1F
InChIInChI=1S/C24H16F2N2OS/c25-18-5-2-6-19(26)17(18)13-28-20-7-1-4-16(24(27)29)23(20)15-10-9-14(12-21(15)28)22-8-3-11-30-22/h1-12H,13H2,(H2,27,29)
InChIKeyRXTHWRPVNHCBQQ-UHFFFAOYSA-N
XLogP5.95
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2-chloro-6-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174423994
7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
CID 174414759
7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423912
9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174414157
9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174400379
9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399764
9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399494
9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174400395
9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174418430
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
CID 174414496
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414273
8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
CID 174444281

Frequently Asked Questions

What is the IUPAC name of 9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
The IUPAC name of 9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide (CID 174399417) is 9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2Cc1c(F)cccc1F.
What is the InChIKey of 9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
The InChIKey is RXTHWRPVNHCBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N2OS/c25-18-5-2-6-19(26)17(18)13-28-20-7-1-4-16(24(27)29)23(20)15-10-9-14(12-21(15)28)22-8-3-11-30-22/h1-12H,13H2,(H2,27,29).
What are the key properties of 9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide is sourced from PubChem (CID 174399417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).