N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide

C20H22FN3O2 — CID 17461202

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CN(C)Cc3cccc(F)c3)ccc21
InChIInChI=1S/C20H22FN3O2/c1-14(25)24-9-8-16-11-18(6-7-19(16)24)22-20(26)13-23(2)12-15-4-3-5-17(21)10-15/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,26)
InChIKeyUNTUYLRAWKSROO-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.81
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 17461202) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
PubChem CID17461202
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CN(C)Cc3cccc(F)c3)ccc21
InChIInChI=1S/C20H22FN3O2/c1-14(25)24-9-8-16-11-18(6-7-19(16)24)22-20(26)13-23(2)12-15-4-3-5-17(21)10-15/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,26)
InChIKeyUNTUYLRAWKSROO-UHFFFAOYSA-N
XLogP2.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 43230566
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide
CID 50832530
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 33307145
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
CID 30706791
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate
CID 71884378

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide (CID 17461202) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide is CC(=O)N1CCc2cc(NC(=O)CN(C)Cc3cccc(F)c3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is UNTUYLRAWKSROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14(25)24-9-8-16-11-18(6-7-19(16)24)22-20(26)13-23(2)12-15-4-3-5-17(21)10-15/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,26).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 355.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 17461202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).