9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide

C21H14F3IN2O — CID 175235723

IUPAC9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(C(F)(F)F)cc1n2Cc1ccc(I)cc1
InChIInChI=1S/C21H14F3IN2O/c22-21(23,24)13-6-9-15-18(10-13)27(11-12-4-7-14(25)8-5-12)17-3-1-2-16(19(15)17)20(26)28/h1-10H,11H2,(H2,26,28)
InChIKeyFROODRADXKMXMN-UHFFFAOYSA-N
MW494.25 g/mol
LogP5.57
Rot. Bonds3

About 9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide

9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide (PubChem CID 175235723) has the molecular formula C21H14F3IN2O and a molecular weight of 494.25 g/mol. Its IUPAC name is 9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
PubChem CID175235723
Molecular FormulaC21H14F3IN2O
Molecular Weight494.25 g/mol
Exact Mass494.01
IUPAC Name9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(C(F)(F)F)cc1n2Cc1ccc(I)cc1
InChIInChI=1S/C21H14F3IN2O/c22-21(23,24)13-6-9-15-18(10-13)27(11-12-4-7-14(25)8-5-12)17-3-1-2-16(19(15)17)20(26)28/h1-10H,11H2,(H2,26,28)
InChIKeyFROODRADXKMXMN-UHFFFAOYSA-N
XLogP5.57
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.25
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 175235591
9-[(2,5-difluorophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 174400744
7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174399765
7-(hydroxymethyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174417942
7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174399747
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 174414518
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-pentylcarbazole-4-carboxamide
CID 174401347
9-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
CID 174417521
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
CID 174401684
8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414627
7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414795
9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417858

Frequently Asked Questions

What is the IUPAC name of 9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide (CID 175235723) is 9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(C(F)(F)F)cc1n2Cc1ccc(I)cc1.
What is the InChIKey of 9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide?
The InChIKey is FROODRADXKMXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3IN2O/c22-21(23,24)13-6-9-15-18(10-13)27(11-12-4-7-14(25)8-5-12)17-3-1-2-16(19(15)17)20(26)28/h1-10H,11H2,(H2,26,28).
What are the key properties of 9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide?
9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide has a molecular weight of 494.25 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide is sourced from PubChem (CID 175235723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).