9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide

C27H18F4N2O — CID 174414496

IUPAC9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccccc3)cc1n2Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C27H18F4N2O/c28-22-10-5-9-21(27(29,30)31)20(22)15-33-23-11-4-8-19(26(32)34)25(23)18-13-12-17(14-24(18)33)16-6-2-1-3-7-16/h1-14H,15H2,(H2,32,34)
InChIKeyUANZQFMFABVEIL-UHFFFAOYSA-N
MW462.45 g/mol
LogP6.77
Rot. Bonds4

About 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide

9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide (PubChem CID 174414496) has the molecular formula C27H18F4N2O and a molecular weight of 462.45 g/mol. Its IUPAC name is 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
PubChem CID174414496
Molecular FormulaC27H18F4N2O
Molecular Weight462.45 g/mol
Exact Mass462.14
IUPAC Name9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccccc3)cc1n2Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C27H18F4N2O/c28-22-10-5-9-21(27(29,30)31)20(22)15-33-23-11-4-8-19(26(32)34)25(23)18-13-12-17(14-24(18)33)16-6-2-1-3-7-16/h1-14H,15H2,(H2,32,34)
InChIKeyUANZQFMFABVEIL-UHFFFAOYSA-N
XLogP6.77
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.45
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide?
The IUPAC name of 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide (CID 174414496) is 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide?
The canonical SMILES for 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccccc3)cc1n2Cc1c(F)cccc1C(F)(F)F.
What is the InChIKey of 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide?
The InChIKey is UANZQFMFABVEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F4N2O/c28-22-10-5-9-21(27(29,30)31)20(22)15-33-23-11-4-8-19(26(32)34)25(23)18-13-12-17(14-24(18)33)16-6-2-1-3-7-16/h1-14H,15H2,(H2,32,34).
What are the key properties of 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide?
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide has a molecular weight of 462.45 g/mol, XLogP of 6.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide is sourced from PubChem (CID 174414496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).