7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide

C21H12F6N2O — CID 174399765

IUPAC7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(C(F)(F)F)cc1n2Cc1ccc(F)c(F)c1F
InChIInChI=1S/C21H12F6N2O/c22-14-7-4-10(18(23)19(14)24)9-29-15-3-1-2-13(20(28)30)17(15)12-6-5-11(8-16(12)29)21(25,26)27/h1-8H,9H2,(H2,28,30)
InChIKeyNHKUUWZUBOJOLE-UHFFFAOYSA-N
MW422.33 g/mol
LogP5.38
Rot. Bonds3

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

7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide (PubChem CID 174399765) has the molecular formula C21H12F6N2O and a molecular weight of 422.33 g/mol. Its IUPAC name is 7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
PubChem CID174399765
Molecular FormulaC21H12F6N2O
Molecular Weight422.33 g/mol
Exact Mass422.09
IUPAC Name7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(C(F)(F)F)cc1n2Cc1ccc(F)c(F)c1F
InChIInChI=1S/C21H12F6N2O/c22-14-7-4-10(18(23)19(14)24)9-29-15-3-1-2-13(20(28)30)17(15)12-6-5-11(8-16(12)29)21(25,26)27/h1-8H,9H2,(H2,28,30)
InChIKeyNHKUUWZUBOJOLE-UHFFFAOYSA-N
XLogP5.38
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.33
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

9-[(2,5-difluorophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 174400744
9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174400319
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
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 174414518
9-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174399783
8-fluoro-9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235633
9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 175235723
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-pentylcarbazole-4-carboxamide
CID 174401347
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414660
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 175235591

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide (CID 174399765) is 7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(C(F)(F)F)cc1n2Cc1ccc(F)c(F)c1F.
What is the InChIKey of 7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide?
The InChIKey is NHKUUWZUBOJOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F6N2O/c22-14-7-4-10(18(23)19(14)24)9-29-15-3-1-2-13(20(28)30)17(15)12-6-5-11(8-16(12)29)21(25,26)27/h1-8H,9H2,(H2,28,30).
What are the key properties of 7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide?
7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide has a molecular weight of 422.33 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174399765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).