2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione

C17H15ClN2O2 — CID 69164248

IUPAC2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione
SMILESNC(Cc1ccccc1Cl)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15ClN2O2/c18-15-8-4-1-5-11(15)9-12(19)10-20-16(21)13-6-2-3-7-14(13)17(20)22/h1-8,12H,9-10,19H2
InChIKeyIHDBEYWGBWTSHN-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.51
Rot. Bonds4

About 2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione

2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione (PubChem CID 69164248) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione
PubChem CID69164248
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione
SMILESNC(Cc1ccccc1Cl)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15ClN2O2/c18-15-8-4-1-5-11(15)9-12(19)10-20-16(21)13-6-2-3-7-14(13)17(20)22/h1-8,12H,9-10,19H2
InChIKeyIHDBEYWGBWTSHN-UHFFFAOYSA-N
XLogP2.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2-amino-3-pyridin-4-ylpropyl]isoindole-1,3-dione
CID 69115427
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386
2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride
CID 122584996
(2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid
CID 58661581
2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione
CID 175878261
2-[(2S)-2-amino-3-cyclohexylpropyl]isoindole-1,3-dione
CID 67066117
2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 59323393
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436
1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine
CID 65017932
2-[2-amino-3-(2-chloro-4-methylphenyl)propoxy]isoindole-1,3-dione
CID 162376731
(2-chlorophenyl)methyl 2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxylate
CID 1188033
2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione
CID 139568940

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione (CID 69164248) is 2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione is NC(Cc1ccccc1Cl)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione?
The InChIKey is IHDBEYWGBWTSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-15-8-4-1-5-11(15)9-12(19)10-20-16(21)13-6-2-3-7-14(13)17(20)22/h1-8,12H,9-10,19H2.
What are the key properties of 2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione?
2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione has a molecular weight of 314.77 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 69164248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).