1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride

C14H18BrClN2O — CID 119785525

IUPAC1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
SMILESCl.O=C(CNCC1CC1)N1CCc2ccc(Br)cc21
InChIInChI=1S/C14H17BrN2O.ClH/c15-12-4-3-11-5-6-17(13(11)7-12)14(18)9-16-8-10-1-2-10;/h3-4,7,10,16H,1-2,5-6,8-9H2;1H
InChIKeyBLDSWCFBPWHGPP-UHFFFAOYSA-N
MW345.67 g/mol
LogP2.76
Rot. Bonds4

About 1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride

1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride (PubChem CID 119785525) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
PubChem CID119785525
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
SMILESCl.O=C(CNCC1CC1)N1CCc2ccc(Br)cc21
InChIInChI=1S/C14H17BrN2O.ClH/c15-12-4-3-11-5-6-17(13(11)7-12)14(18)9-16-8-10-1-2-10;/h3-4,7,10,16H,1-2,5-6,8-9H2;1H
InChIKeyBLDSWCFBPWHGPP-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride?
The IUPAC name of 1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride (CID 119785525) is 1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride is Cl.O=C(CNCC1CC1)N1CCc2ccc(Br)cc21.
What is the InChIKey of 1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride?
The InChIKey is BLDSWCFBPWHGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O.ClH/c15-12-4-3-11-5-6-17(13(11)7-12)14(18)9-16-8-10-1-2-10;/h3-4,7,10,16H,1-2,5-6,8-9H2;1H.
What are the key properties of 1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride?
1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride has a molecular weight of 345.67 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride is sourced from PubChem (CID 119785525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).