(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride

C14H18Cl2N2O — CID 119788761

IUPAC(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCc3c(Cl)cccc32)C1
InChIInChI=1S/C14H17ClN2O.ClH/c15-12-2-1-3-13-11(12)6-7-17(13)14(18)9-4-5-10(16)8-9;/h1-3,9-10H,4-8,16H2;1H
InChIKeyQTKRNZTTZNJDRL-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.78
Rot. Bonds1

About (3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride

(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride (PubChem CID 119788761) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
PubChem CID119788761
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCc3c(Cl)cccc32)C1
InChIInChI=1S/C14H17ClN2O.ClH/c15-12-2-1-3-13-11(12)6-7-17(13)14(18)9-4-5-10(16)8-9;/h1-3,9-10H,4-8,16H2;1H
InChIKeyQTKRNZTTZNJDRL-UHFFFAOYSA-N
XLogP2.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride (CID 119788761) is (3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride is Cl.NC1CCC(C(=O)N2CCc3c(Cl)cccc32)C1.
What is the InChIKey of (3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The InChIKey is QTKRNZTTZNJDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O.ClH/c15-12-2-1-3-13-11(12)6-7-17(13)14(18)9-4-5-10(16)8-9;/h1-3,9-10H,4-8,16H2;1H.
What are the key properties of (3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride?
(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride has a molecular weight of 301.22 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119788761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).