1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide

C21H23N3O3 — CID 51265668

IUPAC1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)Nc3ccccc3N3CCOCC3)ccc21
InChIInChI=1S/C21H23N3O3/c1-15(25)24-9-8-16-14-17(6-7-19(16)24)21(26)22-18-4-2-3-5-20(18)23-10-12-27-13-11-23/h2-7,14H,8-13H2,1H3,(H,22,26)
InChIKeyIPDZUPCNKBFFLF-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.68
Rot. Bonds3

About 1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide

1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 51265668) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
PubChem CID51265668
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)Nc3ccccc3N3CCOCC3)ccc21
InChIInChI=1S/C21H23N3O3/c1-15(25)24-9-8-16-14-17(6-7-19(16)24)21(26)22-18-4-2-3-5-20(18)23-10-12-27-13-11-23/h2-7,14H,8-13H2,1H3,(H,22,26)
InChIKeyIPDZUPCNKBFFLF-UHFFFAOYSA-N
XLogP2.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 51265836
1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51266821
1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
CID 29284026
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 52533407
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide
CID 34717716
2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide
CID 110695108

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide (CID 51265668) is 1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)Nc3ccccc3N3CCOCC3)ccc21.
What is the InChIKey of 1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is IPDZUPCNKBFFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(25)24-9-8-16-14-17(6-7-19(16)24)21(26)22-18-4-2-3-5-20(18)23-10-12-27-13-11-23/h2-7,14H,8-13H2,1H3,(H,22,26).
What are the key properties of 1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51265668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).