6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one

C22H16Cl3NO — CID 141158846

IUPAC6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one
SMILESO=C1C(Cc2cccc(Cl)c2)c2ccc(Cl)cc2N1Cc1cccc(Cl)c1
InChIInChI=1S/C22H16Cl3NO/c23-16-5-1-3-14(9-16)11-20-19-8-7-18(25)12-21(19)26(22(20)27)13-15-4-2-6-17(24)10-15/h1-10,12,20H,11,13H2
InChIKeyDDYMCVJVFBWYNL-UHFFFAOYSA-N
MW416.74 g/mol
LogP6.52
Rot. Bonds4

About 6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one

6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one (PubChem CID 141158846) has the molecular formula C22H16Cl3NO and a molecular weight of 416.74 g/mol. Its IUPAC name is 6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one
PubChem CID141158846
Molecular FormulaC22H16Cl3NO
Molecular Weight416.74 g/mol
Exact Mass415.03
IUPAC Name6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one
SMILESO=C1C(Cc2cccc(Cl)c2)c2ccc(Cl)cc2N1Cc1cccc(Cl)c1
InChIInChI=1S/C22H16Cl3NO/c23-16-5-1-3-14(9-16)11-20-19-8-7-18(25)12-21(19)26(22(20)27)13-15-4-2-6-17(24)10-15/h1-10,12,20H,11,13H2
InChIKeyDDYMCVJVFBWYNL-UHFFFAOYSA-N
XLogP6.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.74
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one
CID 139259299
1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one
CID 139259282
6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
CID 61356762
3-[(3-chlorophenyl)methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 17394339
3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 125284795
1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
CID 82129732
(3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 25053747
1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474985
3-benzyl-1-[(4-tert-butylphenyl)methyl]-3H-indol-2-one
CID 102435409
3-benzyl-5-chloro-1-methyl-3H-indol-2-one
CID 11043888
1-benzyl-6-bromo-3-[(2-methoxyphenyl)methyl]-3H-indol-2-one
CID 139259304
6-chloro-4-[(4-chlorophenyl)methyl]-2-methyl-1,4-benzoxazin-3-one
CID 23411018

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one?
The IUPAC name of 6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one (CID 141158846) is 6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one is O=C1C(Cc2cccc(Cl)c2)c2ccc(Cl)cc2N1Cc1cccc(Cl)c1.
What is the InChIKey of 6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one?
The InChIKey is DDYMCVJVFBWYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3NO/c23-16-5-1-3-14(9-16)11-20-19-8-7-18(25)12-21(19)26(22(20)27)13-15-4-2-6-17(24)10-15/h1-10,12,20H,11,13H2.
What are the key properties of 6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one?
6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one has a molecular weight of 416.74 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 141158846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).