6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide

C20H12F4N2O — CID 174417840

IUPAC6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cc(F)ccc1n2Cc1c(F)ccc(F)c1F
InChIInChI=1S/C20H12F4N2O/c21-10-4-7-16-12(8-10)18-11(20(25)27)2-1-3-17(18)26(16)9-13-14(22)5-6-15(23)19(13)24/h1-8H,9H2,(H2,25,27)
InChIKeyFORUSDIGCSNPTJ-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.50
Rot. Bonds3

About 6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide

6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide (PubChem CID 174417840) has the molecular formula C20H12F4N2O and a molecular weight of 372.32 g/mol. Its IUPAC name is 6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide
PubChem CID174417840
Molecular FormulaC20H12F4N2O
Molecular Weight372.32 g/mol
Exact Mass372.09
IUPAC Name6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cc(F)ccc1n2Cc1c(F)ccc(F)c1F
InChIInChI=1S/C20H12F4N2O/c21-10-4-7-16-12(8-10)18-11(20(25)27)2-1-3-17(18)26(16)9-13-14(22)5-6-15(23)19(13)24/h1-8H,9H2,(H2,25,27)
InChIKeyFORUSDIGCSNPTJ-UHFFFAOYSA-N
XLogP4.50
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
CID 174423897
9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide
CID 174417549
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174400319
6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 174414934
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414273
9-[(2,5-difluorophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 174400744
9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174400395
7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174399765
9-[(2-bromo-5-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414505
9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399417
7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174414809

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide (CID 174417840) is 6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1cc(F)ccc1n2Cc1c(F)ccc(F)c1F.
What is the InChIKey of 6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide?
The InChIKey is FORUSDIGCSNPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N2O/c21-10-4-7-16-12(8-10)18-11(20(25)27)2-1-3-17(18)26(16)9-13-14(22)5-6-15(23)19(13)24/h1-8H,9H2,(H2,25,27).
What are the key properties of 6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide?
6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide has a molecular weight of 372.32 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174417840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).