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

C20H13F3N2O — CID 174400319

IUPAC9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccccc1n2Cc1ccc(F)c(F)c1F
InChIInChI=1S/C20H13F3N2O/c21-14-9-8-11(18(22)19(14)23)10-25-15-6-2-1-4-12(15)17-13(20(24)26)5-3-7-16(17)25/h1-9H,10H2,(H2,24,26)
InChIKeyUVEFLDYOBNMLBN-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.36
Rot. Bonds3

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

9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide (PubChem CID 174400319) has the molecular formula C20H13F3N2O and a molecular weight of 354.33 g/mol. Its IUPAC name is 9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
PubChem CID174400319
Molecular FormulaC20H13F3N2O
Molecular Weight354.33 g/mol
Exact Mass354.10
IUPAC Name9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccccc1n2Cc1ccc(F)c(F)c1F
InChIInChI=1S/C20H13F3N2O/c21-14-9-8-11(18(22)19(14)23)10-25-15-6-2-1-4-12(15)17-13(20(24)26)5-3-7-16(17)25/h1-9H,10H2,(H2,24,26)
InChIKeyUVEFLDYOBNMLBN-UHFFFAOYSA-N
XLogP4.36
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174399765
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178
9-[(2,4-dimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423911
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174417840
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414273
9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174417772
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414775
7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174414809
9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
CID 174401032
9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414567

Frequently Asked Questions

What is the IUPAC name of 9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide (CID 174400319) is 9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccccc1n2Cc1ccc(F)c(F)c1F.
What is the InChIKey of 9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide?
The InChIKey is UVEFLDYOBNMLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O/c21-14-9-8-11(18(22)19(14)23)10-25-15-6-2-1-4-12(15)17-13(20(24)26)5-3-7-16(17)25/h1-9H,10H2,(H2,24,26).
What are the key properties of 9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide?
9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174400319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).