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

C24H29FN2O3 — CID 1273077

IUPAC2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCc2c(C)[nH]c3c(C)ccc(F)c23)cc1OCC
InChIInChI=1S/C24H29FN2O3/c1-5-29-20-10-8-17(13-21(20)30-6-2)14-22(28)26-12-11-18-16(4)27-24-15(3)7-9-19(25)23(18)24/h7-10,13,27H,5-6,11-12,14H2,1-4H3,(H,26,28)
InChIKeyXZXNAZOLGVEHHZ-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.62
Rot. Bonds9

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

2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 1273077) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID1273077
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCc2c(C)[nH]c3c(C)ccc(F)c23)cc1OCC
InChIInChI=1S/C24H29FN2O3/c1-5-29-20-10-8-17(13-21(20)30-6-2)14-22(28)26-12-11-18-16(4)27-24-15(3)7-9-19(25)23(18)24/h7-10,13,27H,5-6,11-12,14H2,1-4H3,(H,26,28)
InChIKeyXZXNAZOLGVEHHZ-UHFFFAOYSA-N
XLogP4.62
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide (CID 1273077) is 2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide is CCOc1ccc(CC(=O)NCCc2c(C)[nH]c3c(C)ccc(F)c23)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is XZXNAZOLGVEHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-5-29-20-10-8-17(13-21(20)30-6-2)14-22(28)26-12-11-18-16(4)27-24-15(3)7-9-19(25)23(18)24/h7-10,13,27H,5-6,11-12,14H2,1-4H3,(H,26,28).
What are the key properties of 2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide?
2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 412.51 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 1273077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).