2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide

C24H29FN2O4 — CID 151978617

IUPAC2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)NC[C@@H](F)C(C)(C)O)cc12
InChIInChI=1S/C24H29FN2O4/c1-6-16-17-11-15(23(28)26-13-21(25)24(2,3)29)7-9-18(17)27-22(16)14-8-10-19(30-4)20(12-14)31-5/h7-12,21,27,29H,6,13H2,1-5H3,(H,26,28)/t21-/m1/s1
InChIKeyUCERXWPHBLFOME-OAQYLSRUSA-N
MW428.50 g/mol
LogP4.25
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide

2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide (PubChem CID 151978617) has the molecular formula C24H29FN2O4 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide
PubChem CID151978617
Molecular FormulaC24H29FN2O4
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)NC[C@@H](F)C(C)(C)O)cc12
InChIInChI=1S/C24H29FN2O4/c1-6-16-17-11-15(23(28)26-13-21(25)24(2,3)29)7-9-18(17)27-22(16)14-8-10-19(30-4)20(12-14)31-5/h7-12,21,27,29H,6,13H2,1-5H3,(H,26,28)/t21-/m1/s1
InChIKeyUCERXWPHBLFOME-OAQYLSRUSA-N
XLogP4.25
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide (CID 151978617) is 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide is CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)NC[C@@H](F)C(C)(C)O)cc12.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide?
The InChIKey is UCERXWPHBLFOME-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29FN2O4/c1-6-16-17-11-15(23(28)26-13-21(25)24(2,3)29)7-9-18(17)27-22(16)14-8-10-19(30-4)20(12-14)31-5/h7-12,21,27,29H,6,13H2,1-5H3,(H,26,28)/t21-/m1/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 4.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 151978617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).