1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one

C12H13Cl2NO — CID 82483275

IUPAC1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H13Cl2NO/c1-7(2)12(16)15-4-3-8-5-9(13)6-10(14)11(8)15/h5-7H,3-4H2,1-2H3
InChIKeyGPZZKPMXPZUSJJ-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.54
Rot. Bonds1

About 1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one

1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one (PubChem CID 82483275) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
PubChem CID82483275
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H13Cl2NO/c1-7(2)12(16)15-4-3-8-5-9(13)6-10(14)11(8)15/h5-7H,3-4H2,1-2H3
InChIKeyGPZZKPMXPZUSJJ-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate
CID 82479218
1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 135195397
1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 82483276
5,7-dichloro-2,3-dihydroindol-1-amine
CID 151713616
1-(11-chloro-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)-2-methylpropan-1-one
CID 71202932
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
(2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one
CID 95625279
2-methyl-1-(7-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 70797782
1-[5-(2-chloroacetyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 28803845
2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone
CID 82489732
(2S)-2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentan-1-one
CID 119813567
5-chloro-7-isocyano-1-propan-2-yl-2,3-dihydroindole
CID 166590206

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one (CID 82483275) is 1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCc2cc(Cl)cc(Cl)c21.
What is the InChIKey of 1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one?
The InChIKey is GPZZKPMXPZUSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-7(2)12(16)15-4-3-8-5-9(13)6-10(14)11(8)15/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one?
1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one has a molecular weight of 258.15 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 82483275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).