(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide

C20H20FN3O3 — CID 59375998

IUPAC(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCCO)CCC/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C20H20FN3O3/c1-10-16(19(26)22-7-8-25)12-3-2-4-13(18(12)23-10)17-14-9-11(21)5-6-15(14)24-20(17)27/h5-6,9,23,25H,2-4,7-8H2,1H3,(H,22,26)(H,24,27)/b17-13-
InChIKeyGWQQUSRBNJRKLG-LGMDPLHJSA-N
MW369.40 g/mol
LogP2.38
Rot. Bonds3

About (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide

(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide (PubChem CID 59375998) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound Name(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide
PubChem CID59375998
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCCO)CCC/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C20H20FN3O3/c1-10-16(19(26)22-7-8-25)12-3-2-4-13(18(12)23-10)17-14-9-11(21)5-6-15(14)24-20(17)27/h5-6,9,23,25H,2-4,7-8H2,1H3,(H,22,26)(H,24,27)/b17-13-
InChIKeyGWQQUSRBNJRKLG-LGMDPLHJSA-N
XLogP2.38
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?
The IUPAC name of (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide (CID 59375998) is (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide.
What is the SMILES notation for (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?
The canonical SMILES for (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide is Cc1[nH]c2c(c1C(=O)NCCO)CCC/C2=C1/C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?
The InChIKey is GWQQUSRBNJRKLG-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-10-16(19(26)22-7-8-25)12-3-2-4-13(18(12)23-10)17-14-9-11(21)5-6-15(14)24-20(17)27/h5-6,9,23,25H,2-4,7-8H2,1H3,(H,22,26)(H,24,27)/b17-13-.
What are the key properties of (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?
(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-N-(2-hydroxyethyl)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 59375998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).