4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C14H12BrF3N2O — CID 130362598

IUPAC4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESNC(=O)c1ccc(Br)c2c3c([nH]c12)CC(C(F)(F)F)CC3
InChIInChI=1S/C14H12BrF3N2O/c15-9-4-3-8(13(19)21)12-11(9)7-2-1-6(14(16,17)18)5-10(7)20-12/h3-4,6,20H,1-2,5H2,(H2,19,21)
InChIKeyKSJDPPZWRPPWTG-UHFFFAOYSA-N
MW361.16 g/mol
LogP3.70
Rot. Bonds1

About 4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 130362598) has the molecular formula C14H12BrF3N2O and a molecular weight of 361.16 g/mol. Its IUPAC name is 4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID130362598
Molecular FormulaC14H12BrF3N2O
Molecular Weight361.16 g/mol
Exact Mass360.01
IUPAC Name4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESNC(=O)c1ccc(Br)c2c3c([nH]c12)CC(C(F)(F)F)CC3
InChIInChI=1S/C14H12BrF3N2O/c15-9-4-3-8(13(19)21)12-11(9)7-2-1-6(14(16,17)18)5-10(7)20-12/h3-4,6,20H,1-2,5H2,(H2,19,21)
InChIKeyKSJDPPZWRPPWTG-UHFFFAOYSA-N
XLogP3.70
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of 4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 130362598) is 4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for 4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for 4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is NC(=O)c1ccc(Br)c2c3c([nH]c12)CC(C(F)(F)F)CC3.
What is the InChIKey of 4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is KSJDPPZWRPPWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2O/c15-9-4-3-8(13(19)21)12-11(9)7-2-1-6(14(16,17)18)5-10(7)20-12/h3-4,6,20H,1-2,5H2,(H2,19,21).
What are the key properties of 4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 361.16 g/mol, XLogP of 3.70, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 130362598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).