8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide

C26H19FN2O2 — CID 174414251

IUPAC8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(F)c1n2Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H19FN2O2/c27-21-13-6-11-19-24-20(26(28)30)12-7-14-22(24)29(25(19)21)16-17-8-4-5-15-23(17)31-18-9-2-1-3-10-18/h1-15H,16H2,(H2,28,30)
InChIKeyWYYLTESGORWBSP-UHFFFAOYSA-N
MW410.45 g/mol
LogP5.87
Rot. Bonds5

About 8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide

8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide (PubChem CID 174414251) has the molecular formula C26H19FN2O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
PubChem CID174414251
Molecular FormulaC26H19FN2O2
Molecular Weight410.45 g/mol
Exact Mass410.14
IUPAC Name8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(F)c1n2Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H19FN2O2/c27-21-13-6-11-19-24-20(26(28)30)12-7-14-22(24)29(25(19)21)16-17-8-4-5-15-23(17)31-18-9-2-1-3-10-18/h1-15H,16H2,(H2,28,30)
InChIKeyWYYLTESGORWBSP-UHFFFAOYSA-N
XLogP5.87
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-chlorophenyl)-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414665
9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174417772
8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174440705
8-fluoro-9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235633
9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174440659
2-[5-carbamoyl-2-ethyl-9-[(2-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 21264313
8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
CID 174444281
9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174400319
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178
2-fluoro-3-phenoxybenzamide
CID 58104414
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid
CID 154451965

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide (CID 174414251) is 8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1cccc(F)c1n2Cc1ccccc1Oc1ccccc1.
What is the InChIKey of 8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is WYYLTESGORWBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O2/c27-21-13-6-11-19-24-20(26(28)30)12-7-14-22(24)29(25(19)21)16-17-8-4-5-15-23(17)31-18-9-2-1-3-10-18/h1-15H,16H2,(H2,28,30).
What are the key properties of 8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide?
8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174414251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).