8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide

C18H13FN2OS — CID 174444281

IUPAC8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(F)c1n2Cc1cccs1
InChIInChI=1S/C18H13FN2OS/c19-14-7-1-5-12-16-13(18(20)22)6-2-8-15(16)21(17(12)14)10-11-4-3-9-23-11/h1-9H,10H2,(H2,20,22)
InChIKeyXABSPXACIBAQNT-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.14
Rot. Bonds3

About 8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide

8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide (PubChem CID 174444281) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
PubChem CID174444281
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(F)c1n2Cc1cccs1
InChIInChI=1S/C18H13FN2OS/c19-14-7-1-5-12-16-13(18(20)22)6-2-8-15(16)21(17(12)14)10-11-4-3-9-23-11/h1-9H,10H2,(H2,20,22)
InChIKeyXABSPXACIBAQNT-UHFFFAOYSA-N
XLogP4.14
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174417772
7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
CID 174414759
8-fluoro-9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235633
8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414251
9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399417
9-[(2-chloro-6-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174423994
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414273
9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174400379
8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414627
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174414157

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide?
The IUPAC name of 8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide (CID 174444281) is 8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide.
What is the SMILES notation for 8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide?
The canonical SMILES for 8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1cccc(F)c1n2Cc1cccs1.
What is the InChIKey of 8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide?
The InChIKey is XABSPXACIBAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-14-7-1-5-12-16-13(18(20)22)6-2-8-15(16)21(17(12)14)10-11-4-3-9-23-11/h1-9H,10H2,(H2,20,22).
What are the key properties of 8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide?
8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174444281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).