3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride

C65H92Cl5FN8O4 — CID 157216822

IUPAC3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride
SMILESCC(C)NC(=O)CCN1CCc2cc(Cl)ccc21.CC(C)NC(=O)CCN1CCc2ccc(Cl)cc21.CC(C)NC(=O)CCN1CCc2ccc(F)cc21.Cc1ccc(C)cc1.Cc1ccc2c(c1)CCN2CCC(=O)NC(C)C.Cl.Cl.Cl
InChIInChI=1S/C15H22N2O.2C14H19ClN2O.C14H19FN2O.C8H10.3ClH/c1-11(2)16-15(18)7-9-17-8-6-13-10-12(3)4-5-14(13)17;1-10(2)16-14(18)6-8-17-7-5-11-9-12(15)3-4-13(11)17;2*1-10(2)16-14(18)6-8-17-7-5-11-3-4-12(15)9-13(11)17;1-7-3-5-8(2)6-4-7;;;/h4-5,10-11H,6-9H2,1-3H3,(H,16,18);3*3-4,9-10H,5-8H2,1-2H3,(H,16,18);3-6H,1-2H3;3*1H
InChIKeyUFDDORVECDLZCG-UHFFFAOYSA-N
MW1245.77 g/mol
LogP13.18
Rot. Bonds16

About 3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride

3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride (PubChem CID 157216822) has the molecular formula C65H92Cl5FN8O4 and a molecular weight of 1245.77 g/mol. Its IUPAC name is 3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride.

Molecular Properties

Compound Name3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride
PubChem CID157216822
Molecular FormulaC65H92Cl5FN8O4
Molecular Weight1245.77 g/mol
Exact Mass1242.57
IUPAC Name3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride
SMILESCC(C)NC(=O)CCN1CCc2cc(Cl)ccc21.CC(C)NC(=O)CCN1CCc2ccc(Cl)cc21.CC(C)NC(=O)CCN1CCc2ccc(F)cc21.Cc1ccc(C)cc1.Cc1ccc2c(c1)CCN2CCC(=O)NC(C)C.Cl.Cl.Cl
InChIInChI=1S/C15H22N2O.2C14H19ClN2O.C14H19FN2O.C8H10.3ClH/c1-11(2)16-15(18)7-9-17-8-6-13-10-12(3)4-5-14(13)17;1-10(2)16-14(18)6-8-17-7-5-11-9-12(15)3-4-13(11)17;2*1-10(2)16-14(18)6-8-17-7-5-11-3-4-12(15)9-13(11)17;1-7-3-5-8(2)6-4-7;;;/h4-5,10-11H,6-9H2,1-3H3,(H,16,18);3*3-4,9-10H,5-8H2,1-2H3,(H,16,18);3-6H,1-2H3;3*1H
InChIKeyUFDDORVECDLZCG-UHFFFAOYSA-N
XLogP13.18
TPSA129.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.77
LogP ≤ 513.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride with MolForge

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Related Compounds

3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
CID 102661646
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
CID 103503791
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034835
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 103501908
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
N-[(2S)-3-(3-chlorophenyl)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 69194065
N-[(2S)-3-(4-chlorophenyl)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 69194741
N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
CID 109012970
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride?
The IUPAC name of 3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride (CID 157216822) is 3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride.
What is the SMILES notation for 3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride?
The canonical SMILES for 3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride is CC(C)NC(=O)CCN1CCc2cc(Cl)ccc21.CC(C)NC(=O)CCN1CCc2ccc(Cl)cc21.CC(C)NC(=O)CCN1CCc2ccc(F)cc21.Cc1ccc(C)cc1.Cc1ccc2c(c1)CCN2CCC(=O)NC(C)C.Cl.Cl.Cl.
What is the InChIKey of 3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride?
The InChIKey is UFDDORVECDLZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.2C14H19ClN2O.C14H19FN2O.C8H10.3ClH/c1-11(2)16-15(18)7-9-17-8-6-13-10-12(3)4-5-14(13)17;1-10(2)16-14(18)6-8-17-7-5-11-9-12(15)3-4-13(11)17;2*1-10(2)16-14(18)6-8-17-7-5-11-3-4-12(15)9-13(11)17;1-7-3-5-8(2)6-4-7;;;/h4-5,10-11H,6-9H2,1-3H3,(H,16,18);3*3-4,9-10H,5-8H2,1-2H3,(H,16,18);3-6H,1-2H3;3*1H.
What are the key properties of 3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride?
3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride has a molecular weight of 1245.77 g/mol, XLogP of 13.18, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-chloro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(6-fluoro-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;3-(5-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;1,4-xylene;trihydrochloride is sourced from PubChem (CID 157216822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).