2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone

C18H20N2O — CID 63107611

IUPAC2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
SMILESCC(C)Nc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H20N2O/c1-13(2)19-16-9-5-4-8-15(16)18(21)20-12-11-14-7-3-6-10-17(14)20/h3-10,13,19H,11-12H2,1-2H3
InChIKeyHUSPUJUKIIRERN-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.71
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone

2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone (PubChem CID 63107611) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
PubChem CID63107611
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
SMILESCC(C)Nc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H20N2O/c1-13(2)19-16-9-5-4-8-15(16)18(21)20-12-11-14-7-3-6-10-17(14)20/h3-10,13,19H,11-12H2,1-2H3
InChIKeyHUSPUJUKIIRERN-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone
CID 168597159
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201577
N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2335196
3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560311
3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 86893884
2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547315
2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone
CID 31289185
2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone
CID 122502753
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
(4-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107586
[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109111436

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone (CID 63107611) is 2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone is CC(C)Nc1ccccc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone?
The InChIKey is HUSPUJUKIIRERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(2)19-16-9-5-4-8-15(16)18(21)20-12-11-14-7-3-6-10-17(14)20/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone?
2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone has a molecular weight of 280.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone is sourced from PubChem (CID 63107611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).