9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide

C27H18F4N2O — CID 174401684

IUPAC9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccccc3)cc1n2Cc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C27H18F4N2O/c28-22-12-10-19(27(29,30)31)13-18(22)15-33-23-8-4-7-21(26(32)34)25(23)20-11-9-17(14-24(20)33)16-5-2-1-3-6-16/h1-14H,15H2,(H2,32,34)
InChIKeyBJDVDOLLBVPVNX-UHFFFAOYSA-N
MW462.45 g/mol
LogP6.77
Rot. Bonds4

About 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide

9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide (PubChem CID 174401684) has the molecular formula C27H18F4N2O and a molecular weight of 462.45 g/mol. Its IUPAC name is 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
PubChem CID174401684
Molecular FormulaC27H18F4N2O
Molecular Weight462.45 g/mol
Exact Mass462.14
IUPAC Name9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccccc3)cc1n2Cc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C27H18F4N2O/c28-22-12-10-19(27(29,30)31)13-18(22)15-33-23-8-4-7-21(26(32)34)25(23)20-11-9-17(14-24(20)33)16-5-2-1-3-6-16/h1-14H,15H2,(H2,32,34)
InChIKeyBJDVDOLLBVPVNX-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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Related Compounds

9-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
CID 174417521
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414660
9-[(2,5-difluorophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 174400744
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 174414518
7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174399765
8-fluoro-9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235633
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
CID 174414496
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-pentylcarbazole-4-carboxamide
CID 174401347
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517
9-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174399783
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321

Frequently Asked Questions

What is the IUPAC name of 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide?
The IUPAC name of 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide (CID 174401684) is 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide?
The canonical SMILES for 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccccc3)cc1n2Cc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide?
The InChIKey is BJDVDOLLBVPVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F4N2O/c28-22-12-10-19(27(29,30)31)13-18(22)15-33-23-8-4-7-21(26(32)34)25(23)20-11-9-17(14-24(20)33)16-5-2-1-3-6-16/h1-14H,15H2,(H2,32,34).
What are the key properties of 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide?
9-[[2-fluoro-5-(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-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide is sourced from PubChem (CID 174401684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).