2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone

C16H14Cl2N2O — CID 9098782

IUPAC2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)N1CCc2ccccc21
InChIInChI=1S/C16H14Cl2N2O/c17-13-6-5-12(9-14(13)18)19-10-16(21)20-8-7-11-3-1-2-4-15(11)20/h1-6,9,19H,7-8,10H2
InChIKeyZIMDJCCLHSMQMH-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.99
Rot. Bonds3

About 2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone

2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 9098782) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID9098782
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)N1CCc2ccccc21
InChIInChI=1S/C16H14Cl2N2O/c17-13-6-5-12(9-14(13)18)19-10-16(21)20-8-7-11-3-1-2-4-15(11)20/h1-6,9,19H,7-8,10H2
InChIKeyZIMDJCCLHSMQMH-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9099376
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839150
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089
2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 54835226
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
CID 54822552
N-(4-chlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzamide
CID 18286918
1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
CID 54825093
2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 5221069
2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54823310
2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 42069057

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone (CID 9098782) is 2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CNc1ccc(Cl)c(Cl)c1)N1CCc2ccccc21.
What is the InChIKey of 2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is ZIMDJCCLHSMQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-13-6-5-12(9-14(13)18)19-10-16(21)20-8-7-11-3-1-2-4-15(11)20/h1-6,9,19H,7-8,10H2.
What are the key properties of 2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 321.21 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 9098782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).