7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

C27H17Cl2F3N2O — CID 174399747

IUPAC7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3c(Cl)cccc3Cl)cc1n2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H17Cl2F3N2O/c28-20-7-3-8-21(29)24(20)16-10-11-18-23(13-16)34(22-9-2-6-19(25(18)22)26(33)35)14-15-4-1-5-17(12-15)27(30,31)32/h1-13H,14H2,(H2,33,35)
InChIKeyKONXNSQWHUBDMG-UHFFFAOYSA-N
MW513.35 g/mol
LogP7.93
Rot. Bonds4

About 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 174399747) has the molecular formula C27H17Cl2F3N2O and a molecular weight of 513.35 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
PubChem CID174399747
Molecular FormulaC27H17Cl2F3N2O
Molecular Weight513.35 g/mol
Exact Mass512.07
IUPAC Name7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3c(Cl)cccc3Cl)cc1n2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H17Cl2F3N2O/c28-20-7-3-8-21(29)24(20)16-10-11-18-23(13-16)34(22-9-2-6-19(25(18)22)26(33)35)14-15-4-1-5-17(12-15)27(30,31)32/h1-13H,14H2,(H2,33,35)
InChIKeyKONXNSQWHUBDMG-UHFFFAOYSA-N
XLogP7.93
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.35
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414314
8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414627
9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414740
7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417522
9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414749
9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174401344
9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 175235723
7-(2,6-dichlorophenyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174440765
9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 175235591
7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235617
2-[5-carbamoyl-2-(4-chlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264326
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (CID 174399747) is 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3c(Cl)cccc3Cl)cc1n2Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is KONXNSQWHUBDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl2F3N2O/c28-20-7-3-8-21(29)24(20)16-10-11-18-23(13-16)34(22-9-2-6-19(25(18)22)26(33)35)14-15-4-1-5-17(12-15)27(30,31)32/h1-13H,14H2,(H2,33,35).
What are the key properties of 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 513.35 g/mol, XLogP of 7.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174399747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).