1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one

C24H15Cl2NO — CID 153475776

IUPAC1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one
SMILESO=C1C(c2cccc3ccccc23)c2ccccc2N1c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H15Cl2NO/c25-16-12-13-20(26)22(14-16)27-21-11-4-3-9-19(21)23(24(27)28)18-10-5-7-15-6-1-2-8-17(15)18/h1-14,23H
InChIKeyBCAKRSBEIYIFET-UHFFFAOYSA-N
MW404.30 g/mol
LogP6.96
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one

1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one (PubChem CID 153475776) has the molecular formula C24H15Cl2NO and a molecular weight of 404.30 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one
PubChem CID153475776
Molecular FormulaC24H15Cl2NO
Molecular Weight404.30 g/mol
Exact Mass403.05
IUPAC Name1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one
SMILESO=C1C(c2cccc3ccccc23)c2ccccc2N1c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H15Cl2NO/c25-16-12-13-20(26)22(14-16)27-21-11-4-3-9-19(21)23(24(27)28)18-10-5-7-15-6-1-2-8-17(15)18/h1-14,23H
InChIKeyBCAKRSBEIYIFET-UHFFFAOYSA-N
XLogP6.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.30
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one
CID 160578438
3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione
CID 100918195
(3R,3aR,6aR)-5-(3-chlorophenyl)-3-naphthalen-1-yl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 51575375
3-(2,5-dichlorophenyl)-1,3-benzoxazine-2,4-dione
CID 138754408
3-naphthalen-2-yl-1-phenyl-3H-indol-2-one
CID 118938995
[1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamimidothioate
CID 135478286
[(3S)-1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamimidothioate
CID 135926246
(1R,2R,6S,7S)-4-(2,5-dichlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11871846
6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one
CID 174422951
3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118511993
(3aS,5R,7aS)-2-(2,5-dichlorophenyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124713079
(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
CID 43167267

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one (CID 153475776) is 1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one is O=C1C(c2cccc3ccccc23)c2ccccc2N1c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one?
The InChIKey is BCAKRSBEIYIFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2NO/c25-16-12-13-20(26)22(14-16)27-21-11-4-3-9-19(21)23(24(27)28)18-10-5-7-15-6-1-2-8-17(15)18/h1-14,23H.
What are the key properties of 1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one?
1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one has a molecular weight of 404.30 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one is sourced from PubChem (CID 153475776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).