9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide

C26H16F6N2O2 — CID 174400100

IUPAC9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C26H16F6N2O2/c27-25(28,29)16-8-6-15(19(12-16)26(30,31)32)13-34-20-4-1-3-18(24(33)35)23(20)17-9-7-14(11-21(17)34)22-5-2-10-36-22/h1-12H,13H2,(H2,33,35)
InChIKeyZJGVXZHFIOGLQW-UHFFFAOYSA-N
MW502.41 g/mol
LogP7.24
Rot. Bonds4

About 9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide

9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide (PubChem CID 174400100) has the molecular formula C26H16F6N2O2 and a molecular weight of 502.41 g/mol. Its IUPAC name is 9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide
PubChem CID174400100
Molecular FormulaC26H16F6N2O2
Molecular Weight502.41 g/mol
Exact Mass502.11
IUPAC Name9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C26H16F6N2O2/c27-25(28,29)16-8-6-15(19(12-16)26(30,31)32)13-34-20-4-1-3-18(24(33)35)23(20)17-9-7-14(11-21(17)34)22-5-2-10-36-22/h1-12H,13H2,(H2,33,35)
InChIKeyZJGVXZHFIOGLQW-UHFFFAOYSA-N
XLogP7.24
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.41
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The IUPAC name of 9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide (CID 174400100) is 9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The canonical SMILES for 9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The InChIKey is ZJGVXZHFIOGLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F6N2O2/c27-25(28,29)16-8-6-15(19(12-16)26(30,31)32)13-34-20-4-1-3-18(24(33)35)23(20)17-9-7-14(11-21(17)34)22-5-2-10-36-22/h1-12H,13H2,(H2,33,35).
What are the key properties of 9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide has a molecular weight of 502.41 g/mol, XLogP of 7.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2,4-bis(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide is sourced from PubChem (CID 174400100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).