2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione

C17H14Cl2N2O3 — CID 175878261

IUPAC2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione
SMILESN[C@@H](CON1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O3/c18-11-6-5-10(15(19)8-11)7-12(20)9-24-21-16(22)13-3-1-2-4-14(13)17(21)23/h1-6,8,12H,7,9,20H2/t12-/m1/s1
InChIKeyRDCKXIIDAOEVQU-GFCCVEGCSA-N
MW365.22 g/mol
LogP3.09
Rot. Bonds5

About 2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione

2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione (PubChem CID 175878261) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione
PubChem CID175878261
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione
SMILESN[C@@H](CON1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O3/c18-11-6-5-10(15(19)8-11)7-12(20)9-24-21-16(22)13-3-1-2-4-14(13)17(21)23/h1-6,8,12H,7,9,20H2/t12-/m1/s1
InChIKeyRDCKXIIDAOEVQU-GFCCVEGCSA-N
XLogP3.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-3-(2-chloro-4-methylphenyl)propoxy]isoindole-1,3-dione
CID 162376731
2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione
CID 162376735
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
2-[2-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
CID 132568120
2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione
CID 69164248
(2,4-dichlorophenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 7533806
3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid
CID 131031670
2-(2,4-dichlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 62502807
1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine
CID 106867926
5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide
CID 171812570
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097361
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66143280

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione (CID 175878261) is 2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione is N[C@@H](CON1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione?
The InChIKey is RDCKXIIDAOEVQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c18-11-6-5-10(15(19)8-11)7-12(20)9-24-21-16(22)13-3-1-2-4-14(13)17(21)23/h1-6,8,12H,7,9,20H2/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione?
2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione has a molecular weight of 365.22 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione is sourced from PubChem (CID 175878261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).