1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide

C21H23ClN2O2 — CID 55903162

IUPAC1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCC(C)(C)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H23ClN2O2/c1-14(25)24-11-10-15-12-16(4-9-19(15)24)20(26)23-13-21(2,3)17-5-7-18(22)8-6-17/h4-9,12H,10-11,13H2,1-3H3,(H,23,26)
InChIKeyCNFNKDDGAGGUJG-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.96
Rot. Bonds4

About 1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 55903162) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
PubChem CID55903162
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCC(C)(C)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H23ClN2O2/c1-14(25)24-11-10-15-12-16(4-9-19(15)24)20(26)23-13-21(2,3)17-5-7-18(22)8-6-17/h4-9,12H,10-11,13H2,1-3H3,(H,23,26)
InChIKeyCNFNKDDGAGGUJG-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
CID 60569309
1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55497593
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 119254151
4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 113090383
N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55790102
1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide
CID 60580165
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166218488

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide (CID 55903162) is 1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NCC(C)(C)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is CNFNKDDGAGGUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14(25)24-11-10-15-12-16(4-9-19(15)24)20(26)23-13-21(2,3)17-5-7-18(22)8-6-17/h4-9,12H,10-11,13H2,1-3H3,(H,23,26).
What are the key properties of 1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55903162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).