(6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone

C19H18BrNO2 — CID 166272788

IUPAC(6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1CN(C(=O)C2CCOc3ccc(Br)cc32)c2ccccc21
InChIInChI=1S/C19H18BrNO2/c1-12-11-21(17-5-3-2-4-14(12)17)19(22)15-8-9-23-18-7-6-13(20)10-16(15)18/h2-7,10,12,15H,8-9,11H2,1H3
InChIKeyBBABFFKOVNUVSO-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.47
Rot. Bonds1

About (6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone

(6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 166272788) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is (6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID166272788
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name(6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1CN(C(=O)C2CCOc3ccc(Br)cc32)c2ccccc21
InChIInChI=1S/C19H18BrNO2/c1-12-11-21(17-5-3-2-4-14(12)17)19(22)15-8-9-23-18-7-6-13(20)10-16(15)18/h2-7,10,12,15H,8-9,11H2,1H3
InChIKeyBBABFFKOVNUVSO-UHFFFAOYSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(3-methyl-2,3-dihydroindol-1-yl)methanone
CID 110751863
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3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110649686
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 103575894
[(2R)-6-bromo-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-oxolan-3-yl]methanone
CID 99843595
2-[1-(3,4-dihydro-2H-chromene-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116680981
[4-(bromomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 80678666
1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 75403700
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
1-(3,4-dihydro-2H-chromene-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118373
2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408731
1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831877

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone (CID 166272788) is (6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone is CC1CN(C(=O)C2CCOc3ccc(Br)cc32)c2ccccc21.
What is the InChIKey of (6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is BBABFFKOVNUVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-12-11-21(17-5-3-2-4-14(12)17)19(22)15-8-9-23-18-7-6-13(20)10-16(15)18/h2-7,10,12,15H,8-9,11H2,1H3.
What are the key properties of (6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone?
(6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 372.26 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3,4-dihydro-2H-chromen-4-yl)-(3-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 166272788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).