2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione

C20H19ClN2O3 — CID 18933330

IUPAC2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C20H19ClN2O3/c21-15-7-5-14(6-8-15)11-22-9-10-26-16(12-22)13-23-19(24)17-3-1-2-4-18(17)20(23)25/h1-8,16H,9-13H2
InChIKeyUYVFDDFVLJZCOJ-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.84
Rot. Bonds4

About 2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione

2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione (PubChem CID 18933330) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione
PubChem CID18933330
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C20H19ClN2O3/c21-15-7-5-14(6-8-15)11-22-9-10-26-16(12-22)13-23-19(24)17-3-1-2-4-18(17)20(23)25/h1-8,16H,9-13H2
InChIKeyUYVFDDFVLJZCOJ-UHFFFAOYSA-N
XLogP2.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 9390005
2-[9-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]nonyl]isoindole-1,3-dione
CID 127053246
[4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844448
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione
CID 23200080
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
CID 103041391
[(2R)-4-benzylmorpholin-2-yl]methyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 95250882
(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 127028182
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione (CID 18933330) is 2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC1CN(Cc2ccc(Cl)cc2)CCO1.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is UYVFDDFVLJZCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-15-7-5-14(6-8-15)11-22-9-10-26-16(12-22)13-23-19(24)17-3-1-2-4-18(17)20(23)25/h1-8,16H,9-13H2.
What are the key properties of 2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione?
2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 370.84 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 18933330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).