5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione

C21H19ClN2O3 — CID 60574866

IUPAC5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(C(=O)N3CCCC3Cc3ccccc3Cl)cc2C1=O
InChIInChI=1S/C21H19ClN2O3/c1-23-20(26)16-9-8-14(12-17(16)21(23)27)19(25)24-10-4-6-15(24)11-13-5-2-3-7-18(13)22/h2-3,5,7-9,12,15H,4,6,10-11H2,1H3
InChIKeySHEXJTRBGYVBEN-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.41
Rot. Bonds3

About 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione

5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione (PubChem CID 60574866) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione
PubChem CID60574866
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(C(=O)N3CCCC3Cc3ccccc3Cl)cc2C1=O
InChIInChI=1S/C21H19ClN2O3/c1-23-20(26)16-9-8-14(12-17(16)21(23)27)19(25)24-10-4-6-15(24)11-13-5-2-3-7-18(13)22/h2-3,5,7-9,12,15H,4,6,10-11H2,1H3
InChIKeySHEXJTRBGYVBEN-UHFFFAOYSA-N
XLogP3.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 119467995
[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 60574653
4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 60574602
3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one
CID 60574820
3-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976883
2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119182379
5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 60574977
1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 45427138
2-butyl-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione
CID 75392247
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 124699273
[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone
CID 94813125

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione (CID 60574866) is 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(C(=O)N3CCCC3Cc3ccccc3Cl)cc2C1=O.
What is the InChIKey of 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione?
The InChIKey is SHEXJTRBGYVBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-23-20(26)16-9-8-14(12-17(16)21(23)27)19(25)24-10-4-6-15(24)11-13-5-2-3-7-18(13)22/h2-3,5,7-9,12,15H,4,6,10-11H2,1H3.
What are the key properties of 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione?
5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione has a molecular weight of 382.85 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 60574866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).