2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride

C10H12Cl2N2O — CID 119326597

IUPAC2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCc2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2O.ClH/c11-8-2-1-3-9-7(8)4-5-13(9)10(14)6-12;/h1-3H,4-6,12H2;1H
InChIKeyNEPMZAFMZZYTAJ-UHFFFAOYSA-N
MW247.12 g/mol
LogP1.61
Rot. Bonds1

About 2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride

2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride (PubChem CID 119326597) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
PubChem CID119326597
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCc2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2O.ClH/c11-8-2-1-3-9-7(8)4-5-13(9)10(14)6-12;/h1-3H,4-6,12H2;1H
InChIKeyNEPMZAFMZZYTAJ-UHFFFAOYSA-N
XLogP1.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone
CID 119788770
(1-aminocyclopropyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788748
[4-(aminomethyl)oxan-4-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120933176
(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119788761
1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119939298
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120793592
2-amino-1-[5-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 18321799
1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone
CID 119939299
1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84627468
[(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 97079067
(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788766
[(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea
CID 124877237

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride (CID 119326597) is 2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride is Cl.NCC(=O)N1CCc2c(Cl)cccc21.
What is the InChIKey of 2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The InChIKey is NEPMZAFMZZYTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O.ClH/c11-8-2-1-3-9-7(8)4-5-13(9)10(14)6-12;/h1-3H,4-6,12H2;1H.
What are the key properties of 2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride has a molecular weight of 247.12 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119326597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).