7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

C27H16Cl2F4N2O — CID 175235617

IUPAC7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3Cl)cc1n2Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C27H16Cl2F4N2O/c28-16-6-8-17(21(29)12-16)15-5-7-18-24(11-15)35(23-3-1-2-19(25(18)23)26(34)36)13-14-4-9-22(30)20(10-14)27(31,32)33/h1-12H,13H2,(H2,34,36)
InChIKeyXALUDAPAKIQQQC-UHFFFAOYSA-N
MW531.34 g/mol
LogP8.07
Rot. Bonds4

About 7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 175235617) has the molecular formula C27H16Cl2F4N2O and a molecular weight of 531.34 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
PubChem CID175235617
Molecular FormulaC27H16Cl2F4N2O
Molecular Weight531.34 g/mol
Exact Mass530.06
IUPAC Name7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3Cl)cc1n2Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C27H16Cl2F4N2O/c28-16-6-8-17(21(29)12-16)15-5-7-18-24(11-15)35(23-3-1-2-19(25(18)23)26(34)36)13-14-4-9-22(30)20(10-14)27(31,32)33/h1-12H,13H2,(H2,34,36)
InChIKeyXALUDAPAKIQQQC-UHFFFAOYSA-N
XLogP8.07
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.34
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (CID 175235617) is 7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3Cl)cc1n2Cc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is XALUDAPAKIQQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Cl2F4N2O/c28-16-6-8-17(21(29)12-16)15-5-7-18-24(11-15)35(23-3-1-2-19(25(18)23)26(34)36)13-14-4-9-22(30)20(10-14)27(31,32)33/h1-12H,13H2,(H2,34,36).
What are the key properties of 7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 531.34 g/mol, XLogP of 8.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 175235617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).