4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide

C20H22BrFN2O2 — CID 67859629

IUPAC4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide
SMILESBr.O=C(NCCN1CC2c3ccccc3C(O)C2C1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2.BrH/c21-14-7-5-13(6-8-14)20(25)22-9-10-23-11-17-15-3-1-2-4-16(15)19(24)18(17)12-23;/h1-8,17-19,24H,9-12H2,(H,22,25);1H
InChIKeyLRDPAYNKLKOTSY-UHFFFAOYSA-N
MW421.31 g/mol
LogP2.90
Rot. Bonds4

About 4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide

4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide (PubChem CID 67859629) has the molecular formula C20H22BrFN2O2 and a molecular weight of 421.31 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide
PubChem CID67859629
Molecular FormulaC20H22BrFN2O2
Molecular Weight421.31 g/mol
Exact Mass420.08
IUPAC Name4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide
SMILESBr.O=C(NCCN1CC2c3ccccc3C(O)C2C1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2.BrH/c21-14-7-5-13(6-8-14)20(25)22-9-10-23-11-17-15-3-1-2-4-16(15)19(24)18(17)12-23;/h1-8,17-19,24H,9-12H2,(H,22,25);1H
InChIKeyLRDPAYNKLKOTSY-UHFFFAOYSA-N
XLogP2.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide?
The IUPAC name of 4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide (CID 67859629) is 4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide.
What is the SMILES notation for 4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide?
The canonical SMILES for 4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide is Br.O=C(NCCN1CC2c3ccccc3C(O)C2C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide?
The InChIKey is LRDPAYNKLKOTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2.BrH/c21-14-7-5-13(6-8-14)20(25)22-9-10-23-11-17-15-3-1-2-4-16(15)19(24)18(17)12-23;/h1-8,17-19,24H,9-12H2,(H,22,25);1H.
What are the key properties of 4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide?
4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide has a molecular weight of 421.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide is sourced from PubChem (CID 67859629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).