(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone

C15H19ClN2O — CID 119788766

IUPAC(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
SMILESNC1CCCC(C(=O)N2CCc3c(Cl)cccc32)C1
InChIInChI=1S/C15H19ClN2O/c16-13-5-2-6-14-12(13)7-8-18(14)15(19)10-3-1-4-11(17)9-10/h2,5-6,10-11H,1,3-4,7-9,17H2
InChIKeyPYPVLQLUZQREMW-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.75
Rot. Bonds1

About (3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone

(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone (PubChem CID 119788766) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
PubChem CID119788766
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
SMILESNC1CCCC(C(=O)N2CCc3c(Cl)cccc32)C1
InChIInChI=1S/C15H19ClN2O/c16-13-5-2-6-14-12(13)7-8-18(14)15(19)10-3-1-4-11(17)9-10/h2,5-6,10-11H,1,3-4,7-9,17H2
InChIKeyPYPVLQLUZQREMW-UHFFFAOYSA-N
XLogP2.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119788761
(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119673091
(3-aminocyclohexyl)-(6-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760507
[(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 97079067
1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564569
[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone
CID 124699729
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120793592
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119326597
(3-aminocyclohexyl)-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone
CID 119738099
(1-aminocyclopropyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788748
[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124523270
(4-chloro-2,3-dihydroindol-1-yl)-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone
CID 166216907

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone (CID 119788766) is (3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone is NC1CCCC(C(=O)N2CCc3c(Cl)cccc32)C1.
What is the InChIKey of (3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is PYPVLQLUZQREMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-13-5-2-6-14-12(13)7-8-18(14)15(19)10-3-1-4-11(17)9-10/h2,5-6,10-11H,1,3-4,7-9,17H2.
What are the key properties of (3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone?
(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 278.78 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 119788766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).