2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide

C20H18FNO2 — CID 173037184

IUPAC2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide
SMILESCOc1c2cc(C(N)=O)c(-c3ccc(F)c4c3C=C(C)C4)c1CC2
InChIInChI=1S/C20H18FNO2/c1-10-7-14-12(5-6-17(21)15(14)8-10)18-13-4-3-11(19(13)24-2)9-16(18)20(22)23/h5-7,9H,3-4,8H2,1-2H3,(H2,22,23)
InChIKeyHMJOHMJLRKDHMY-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.66
Rot. Bonds3

About 2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide

2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide (PubChem CID 173037184) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide.

Molecular Properties

Compound Name2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide
PubChem CID173037184
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide
SMILESCOc1c2cc(C(N)=O)c(-c3ccc(F)c4c3C=C(C)C4)c1CC2
InChIInChI=1S/C20H18FNO2/c1-10-7-14-12(5-6-17(21)15(14)8-10)18-13-4-3-11(19(13)24-2)9-16(18)20(22)23/h5-7,9H,3-4,8H2,1-2H3,(H2,22,23)
InChIKeyHMJOHMJLRKDHMY-UHFFFAOYSA-N
XLogP3.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide?
The IUPAC name of 2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide (CID 173037184) is 2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide.
What is the SMILES notation for 2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide?
The canonical SMILES for 2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide is COc1c2cc(C(N)=O)c(-c3ccc(F)c4c3C=C(C)C4)c1CC2.
What is the InChIKey of 2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide?
The InChIKey is HMJOHMJLRKDHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-10-7-14-12(5-6-17(21)15(14)8-10)18-13-4-3-11(19(13)24-2)9-16(18)20(22)23/h5-7,9H,3-4,8H2,1-2H3,(H2,22,23).
What are the key properties of 2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide?
2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-methyl-1H-inden-4-yl)-8-methoxybicyclo[3.2.1]octa-1(8),2,4-triene-3-carboxamide is sourced from PubChem (CID 173037184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).