(4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium

C19H20ClN2O2+ — CID 9279325

IUPAC(4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
SMILESC[NH+](Cc1ccc(Cl)cc1)CN1C(=O)C[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C19H19ClN2O2/c1-21(12-14-7-9-16(20)10-8-14)13-22-18(23)11-17(19(22)24)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3/p+1/t17-/m0/s1
InChIKeyOCECXRFXSJOUGF-KRWDZBQOSA-O
MW343.83 g/mol
LogP1.85
Rot. Bonds5

About (4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium

(4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium (PubChem CID 9279325) has the molecular formula C19H20ClN2O2+ and a molecular weight of 343.83 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
PubChem CID9279325
Molecular FormulaC19H20ClN2O2+
Molecular Weight343.83 g/mol
Exact Mass343.12
IUPAC Name(4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
SMILESC[NH+](Cc1ccc(Cl)cc1)CN1C(=O)C[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C19H19ClN2O2/c1-21(12-14-7-9-16(20)10-8-14)13-22-18(23)11-17(19(22)24)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3/p+1/t17-/m0/s1
InChIKeyOCECXRFXSJOUGF-KRWDZBQOSA-O
XLogP1.85
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
CID 9244103
(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
(3S)-3-phenyl-1-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]pyrrolidine-2,5-dione
CID 9279605
1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione
CID 106146031
1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61349210
(3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione
CID 53466592
1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione
CID 106288752
(3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 98101275
3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione
CID 60976711
1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one
CID 102374492
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione
CID 115319957
3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 134109848

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium?
The IUPAC name of (4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium (CID 9279325) is (4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium.
What is the SMILES notation for (4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium?
The canonical SMILES for (4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium is C[NH+](Cc1ccc(Cl)cc1)CN1C(=O)C[C@@H](c2ccccc2)C1=O.
What is the InChIKey of (4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium?
The InChIKey is OCECXRFXSJOUGF-KRWDZBQOSA-O. The full InChI is InChI=1S/C19H19ClN2O2/c1-21(12-14-7-9-16(20)10-8-14)13-22-18(23)11-17(19(22)24)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3/p+1/t17-/m0/s1.
What are the key properties of (4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium?
(4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium has a molecular weight of 343.83 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium is sourced from PubChem (CID 9279325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).