N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide

C20H21FN2O2 — CID 668650

IUPACN-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCc1c(C)[nH]c2c(C)ccc(F)c12
InChIInChI=1S/C20H21FN2O2/c1-12-8-9-16(21)18-14(13(2)23-19(12)18)10-11-22-20(24)15-6-4-5-7-17(15)25-3/h4-9,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyCGPYXDJNJSGPLK-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.90
Rot. Bonds5

About N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide

N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide (PubChem CID 668650) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide
PubChem CID668650
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCc1c(C)[nH]c2c(C)ccc(F)c12
InChIInChI=1S/C20H21FN2O2/c1-12-8-9-16(21)18-14(13(2)23-19(12)18)10-11-22-20(24)15-6-4-5-7-17(15)25-3/h4-9,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyCGPYXDJNJSGPLK-UHFFFAOYSA-N
XLogP3.90
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide (CID 668650) is N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCc1c(C)[nH]c2c(C)ccc(F)c12.
What is the InChIKey of N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide?
The InChIKey is CGPYXDJNJSGPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-12-8-9-16(21)18-14(13(2)23-19(12)18)10-11-22-20(24)15-6-4-5-7-17(15)25-3/h4-9,23H,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide?
N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide has a molecular weight of 340.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 668650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).