2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione

C20H19ClN2O3 — CID 162376735

IUPAC2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione
SMILESNC(CON1C(=O)c2ccccc2C1=O)Cc1ccc(C2CC2)cc1Cl
InChIInChI=1S/C20H19ClN2O3/c21-18-10-13(12-5-6-12)7-8-14(18)9-15(22)11-26-23-19(24)16-3-1-2-4-17(16)20(23)25/h1-4,7-8,10,12,15H,5-6,9,11,22H2
InChIKeyQZLRCNDFRRPKEW-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.32
Rot. Bonds6

About 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione

2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione (PubChem CID 162376735) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione
PubChem CID162376735
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione
SMILESNC(CON1C(=O)c2ccccc2C1=O)Cc1ccc(C2CC2)cc1Cl
InChIInChI=1S/C20H19ClN2O3/c21-18-10-13(12-5-6-12)7-8-14(18)9-15(22)11-26-23-19(24)16-3-1-2-4-17(16)20(23)25/h1-4,7-8,10,12,15H,5-6,9,11,22H2
InChIKeyQZLRCNDFRRPKEW-UHFFFAOYSA-N
XLogP3.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.32
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-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione
CID 175878261
2-[2-amino-3-(2-chloro-4-methylphenyl)propoxy]isoindole-1,3-dione
CID 162376731
2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione
CID 18451548
5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide
CID 171812570
2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione
CID 69164248
2-aminooxyisoindole-1,3-dione
CID 89054763
1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine
CID 106867926
2-[2-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
CID 132568120
2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione
CID 134348113
2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]isoindole-1,3-dione
CID 163217211
2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine
CID 114602829
2-chloro-4-cyclopropylbenzenesulfonyl chloride
CID 46186536

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione?
The IUPAC name of 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione (CID 162376735) is 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione is NC(CON1C(=O)c2ccccc2C1=O)Cc1ccc(C2CC2)cc1Cl.
What is the InChIKey of 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione?
The InChIKey is QZLRCNDFRRPKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-18-10-13(12-5-6-12)7-8-14(18)9-15(22)11-26-23-19(24)16-3-1-2-4-17(16)20(23)25/h1-4,7-8,10,12,15H,5-6,9,11,22H2.
What are the key properties of 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione?
2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione has a molecular weight of 370.84 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione is sourced from PubChem (CID 162376735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).