7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

C27H18ClF3N2O2 — CID 174400009

IUPAC7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C27H18ClF3N2O2/c28-19-9-6-17(7-10-19)18-8-13-21-24(14-18)33(23-3-1-2-22(25(21)23)26(32)34)15-16-4-11-20(12-5-16)35-27(29,30)31/h1-14H,15H2,(H2,32,34)
InChIKeyOVYAUNOEFDUYRO-UHFFFAOYSA-N
MW494.90 g/mol
LogP7.16
Rot. Bonds5

About 7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 174400009) has the molecular formula C27H18ClF3N2O2 and a molecular weight of 494.90 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
PubChem CID174400009
Molecular FormulaC27H18ClF3N2O2
Molecular Weight494.90 g/mol
Exact Mass494.10
IUPAC Name7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C27H18ClF3N2O2/c28-19-9-6-17(7-10-19)18-8-13-21-24(14-18)33(23-3-1-2-22(25(21)23)26(32)34)15-16-4-11-20(12-5-16)35-27(29,30)31/h1-14H,15H2,(H2,32,34)
InChIKeyOVYAUNOEFDUYRO-UHFFFAOYSA-N
XLogP7.16
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.90
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)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

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (CID 174400009) is 7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is OVYAUNOEFDUYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClF3N2O2/c28-19-9-6-17(7-10-19)18-8-13-21-24(14-18)33(23-3-1-2-22(25(21)23)26(32)34)15-16-4-11-20(12-5-16)35-27(29,30)31/h1-14H,15H2,(H2,32,34).
What are the key properties of 7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 494.90 g/mol, XLogP of 7.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-9-[[4-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174400009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).