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

C24H15F3N2O2 — CID 174399805

IUPAC7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1ccc(F)c(F)c1F
InChIInChI=1S/C24H15F3N2O2/c25-17-9-7-14(22(26)23(17)27)12-29-18-4-1-3-16(24(28)30)21(18)15-8-6-13(11-19(15)29)20-5-2-10-31-20/h1-11H,12H2,(H2,28,30)
InChIKeySYLRWRRACUJFCZ-UHFFFAOYSA-N
MW420.39 g/mol
LogP5.62
Rot. Bonds4

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

7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide (PubChem CID 174399805) has the molecular formula C24H15F3N2O2 and a molecular weight of 420.39 g/mol. Its IUPAC name is 7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
PubChem CID174399805
Molecular FormulaC24H15F3N2O2
Molecular Weight420.39 g/mol
Exact Mass420.11
IUPAC Name7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1ccc(F)c(F)c1F
InChIInChI=1S/C24H15F3N2O2/c25-17-9-7-14(22(26)23(17)27)12-29-18-4-1-3-16(24(28)30)21(18)15-8-6-13(11-19(15)29)20-5-2-10-31-20/h1-11H,12H2,(H2,28,30)
InChIKeySYLRWRRACUJFCZ-UHFFFAOYSA-N
XLogP5.62
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.39
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-Benzofuran-3-yl)-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
CID 16741551
N-[2-(Furan-2-YL)ethyl]-1,2,3-trimethyl-1H-indole-5-carboxamide
CID 20940054
3-cyclohexyl-2-furan-3-yl-1-methyl-1H-indole-6-carboxylic acid
CID 514263
3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11164277
5-fluoro-3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11188108
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-5-fluoro-1H-indole
CID 11245340
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-6-fluoro-1H-indole
CID 11428376
1-Allyl-3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid
CID 21105246
6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid
CID 25173464
3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(6-methoxymethylbenzofuran-3-yl)pyrrole-2,5-dione
CID 44582643
3-(5,6-Difluorobenzofuran-3-yl)-4-(1-methyl-1H-benzo[g]indol-3-yl)pyrrole-2,5-dione
CID 44582871
1-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole
CID 56640868

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide (CID 174399805) is 7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1ccc(F)c(F)c1F.
What is the InChIKey of 7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide?
The InChIKey is SYLRWRRACUJFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N2O2/c25-17-9-7-14(22(26)23(17)27)12-29-18-4-1-3-16(24(28)30)21(18)15-8-6-13(11-19(15)29)20-5-2-10-31-20/h1-11H,12H2,(H2,28,30).
What are the key properties of 7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide?
7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174399805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).