N-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide

C23H32FN3O2 — CID 155567345

IUPACN-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide
SMILESCc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)NC1CCCCC1
InChIInChI=1S/C23H32FN3O2/c1-17-20(9-10-26-11-13-29-14-12-26)21-15-18(24)7-8-22(21)27(17)16-23(28)25-19-5-3-2-4-6-19/h7-8,15,19H,2-6,9-14,16H2,1H3,(H,25,28)
InChIKeyBNKXDVIJRNCWPT-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.41
Rot. Bonds6

About N-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide

N-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide (PubChem CID 155567345) has the molecular formula C23H32FN3O2 and a molecular weight of 401.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide
PubChem CID155567345
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC NameN-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide
SMILESCc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)NC1CCCCC1
InChIInChI=1S/C23H32FN3O2/c1-17-20(9-10-26-11-13-29-14-12-26)21-15-18(24)7-8-22(21)27(17)16-23(28)25-19-5-3-2-4-6-19/h7-8,15,19H,2-6,9-14,16H2,1H3,(H,25,28)
InChIKeyBNKXDVIJRNCWPT-UHFFFAOYSA-N
XLogP3.41
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide (CID 155567345) is N-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide is Cc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide?
The InChIKey is BNKXDVIJRNCWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O2/c1-17-20(9-10-26-11-13-29-14-12-26)21-15-18(24)7-8-22(21)27(17)16-23(28)25-19-5-3-2-4-6-19/h7-8,15,19H,2-6,9-14,16H2,1H3,(H,25,28).
What are the key properties of N-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide?
N-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide has a molecular weight of 401.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide is sourced from PubChem (CID 155567345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).