(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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Related Compounds

(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788766
[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone
CID 124699729
(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119673091
[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124523270
[(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 97079067
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119326597
(3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 119883802
(3-aminocyclohexyl)-(6-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760507
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120793592
(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 119765893
(1-aminocyclopropyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788748
1-(3-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119802266

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).