3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide

C24H18FN3O2 — CID 130362293

IUPAC3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide
SMILESC=CC(=O)N1CCc2c(-c3c(F)cc(C(N)=O)c4[nH]c5ccccc5c34)cccc21
InChIInChI=1S/C24H18FN3O2/c1-2-20(29)28-11-10-13-14(7-5-9-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-6-3-4-8-18(15)27-23/h2-9,12,27H,1,10-11H2,(H2,26,30)
InChIKeyRZFBPBSKLLCKHN-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.30
Rot. Bonds3

About 3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide

3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide (PubChem CID 130362293) has the molecular formula C24H18FN3O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is 3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide
PubChem CID130362293
Molecular FormulaC24H18FN3O2
Molecular Weight399.43 g/mol
Exact Mass399.14
IUPAC Name3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide
SMILESC=CC(=O)N1CCc2c(-c3c(F)cc(C(N)=O)c4[nH]c5ccccc5c34)cccc21
InChIInChI=1S/C24H18FN3O2/c1-2-20(29)28-11-10-13-14(7-5-9-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-6-3-4-8-18(15)27-23/h2-9,12,27H,1,10-11H2,(H2,26,30)
InChIKeyRZFBPBSKLLCKHN-UHFFFAOYSA-N
XLogP4.30
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide (CID 130362293) is 3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide is C=CC(=O)N1CCc2c(-c3c(F)cc(C(N)=O)c4[nH]c5ccccc5c34)cccc21.
What is the InChIKey of 3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide?
The InChIKey is RZFBPBSKLLCKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O2/c1-2-20(29)28-11-10-13-14(7-5-9-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-6-3-4-8-18(15)27-23/h2-9,12,27H,1,10-11H2,(H2,26,30).
What are the key properties of 3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide?
3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1-prop-2-enoyl-2,3-dihydroindol-4-yl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 130362293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).