5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one

C15H12Cl2N2O — CID 43096298

IUPAC5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESNC(c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H12Cl2N2O/c16-11-4-10(5-12(17)7-11)15(18)8-1-2-13-9(3-8)6-14(20)19-13/h1-5,7,15H,6,18H2,(H,19,20)
InChIKeyILERCVYYRBSXQM-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.54
Rot. Bonds2

About 5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one

5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43096298) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID43096298
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESNC(c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H12Cl2N2O/c16-11-4-10(5-12(17)7-11)15(18)8-1-2-13-9(3-8)6-14(20)19-13/h1-5,7,15H,6,18H2,(H,19,20)
InChIKeyILERCVYYRBSXQM-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107950188
5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43198852
5-[amino(naphthalen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43824898
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one
CID 114988519
5-[amino(pyridin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43198851
7-[amino-(4-chlorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342872
5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 116936683
5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 103400598
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937
5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82796773

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one (CID 43096298) is 5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one is NC(c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is ILERCVYYRBSXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-11-4-10(5-12(17)7-11)15(18)8-1-2-13-9(3-8)6-14(20)19-13/h1-5,7,15H,6,18H2,(H,19,20).
What are the key properties of 5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one?
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 307.18 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43096298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).