N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide

C20H21FN2O4 — CID 49408941

IUPACN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2c[nH]c3cc(F)ccc23)cc(OC)c1OC
InChIInChI=1S/C20H21FN2O4/c1-25-17-8-13(9-18(26-2)19(17)27-3)20(24)22-7-6-12-11-23-16-10-14(21)4-5-15(12)16/h4-5,8-11,23H,6-7H2,1-3H3,(H,22,24)
InChIKeyJNYIUVMLABLFTD-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.31
Rot. Bonds7

About N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 49408941) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID49408941
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2c[nH]c3cc(F)ccc23)cc(OC)c1OC
InChIInChI=1S/C20H21FN2O4/c1-25-17-8-13(9-18(26-2)19(17)27-3)20(24)22-7-6-12-11-23-16-10-14(21)4-5-15(12)16/h4-5,8-11,23H,6-7H2,1-3H3,(H,22,24)
InChIKeyJNYIUVMLABLFTD-UHFFFAOYSA-N
XLogP3.31
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377467
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377466
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
CID 4887560
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 4898664
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide
CID 167757516
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 111368165
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide (CID 49408941) is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCc2c[nH]c3cc(F)ccc23)cc(OC)c1OC.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is JNYIUVMLABLFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-25-17-8-13(9-18(26-2)19(17)27-3)20(24)22-7-6-12-11-23-16-10-14(21)4-5-15(12)16/h4-5,8-11,23H,6-7H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide?
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 372.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 49408941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).