8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

C21H14ClF3N2O — CID 174414627

IUPAC8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(Cl)c1n2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14ClF3N2O/c22-16-8-2-6-14-18-15(20(26)28)7-3-9-17(18)27(19(14)16)11-12-4-1-5-13(10-12)21(23,24)25/h1-10H,11H2,(H2,26,28)
InChIKeyNEAWSDLQCFOWGW-UHFFFAOYSA-N
MW402.80 g/mol
LogP5.61
Rot. Bonds3

About 8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 174414627) has the molecular formula C21H14ClF3N2O and a molecular weight of 402.80 g/mol. Its IUPAC name is 8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
PubChem CID174414627
Molecular FormulaC21H14ClF3N2O
Molecular Weight402.80 g/mol
Exact Mass402.07
IUPAC Name8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(Cl)c1n2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14ClF3N2O/c22-16-8-2-6-14-18-15(20(26)28)7-3-9-17(18)27(19(14)16)11-12-4-1-5-13(10-12)21(23,24)25/h1-10H,11H2,(H2,26,28)
InChIKeyNEAWSDLQCFOWGW-UHFFFAOYSA-N
XLogP5.61
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.80
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
CID 174414814
7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174399747
9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
CID 174414642
8-fluoro-9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235633
5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 22740787
9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 175235723
9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174440659
7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 22738225
2-[5-carbamoyl-2-(4-chlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264326
9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174417772
9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 175235591
9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174414833

Frequently Asked Questions

What is the IUPAC name of 8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (CID 174414627) is 8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1cccc(Cl)c1n2Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is NEAWSDLQCFOWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N2O/c22-16-8-2-6-14-18-15(20(26)28)7-3-9-17(18)27(19(14)16)11-12-4-1-5-13(10-12)21(23,24)25/h1-10H,11H2,(H2,26,28).
What are the key properties of 8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 402.80 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174414627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).