1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione

C19H18ClFN2O2 — CID 42897610

IUPAC1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
SMILESCN(Cc1c(F)cccc1Cl)C1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H18ClFN2O2/c1-22(12-14-15(20)8-5-9-16(14)21)17-10-18(24)23(19(17)25)11-13-6-3-2-4-7-13/h2-9,17H,10-12H2,1H3
InChIKeyNBTBWMFPRWBCRD-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.24
Rot. Bonds5

About 1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione

1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione (PubChem CID 42897610) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
PubChem CID42897610
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
SMILESCN(Cc1c(F)cccc1Cl)C1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H18ClFN2O2/c1-22(12-14-15(20)8-5-9-16(14)21)17-10-18(24)23(19(17)25)11-13-6-3-2-4-7-13/h2-9,17H,10-12H2,1H3
InChIKeyNBTBWMFPRWBCRD-UHFFFAOYSA-N
XLogP3.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.24
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

(3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione
CID 945717
(2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
CID 9244103
4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one
CID 79119937
(2S)-5-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 26741923
5-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896316
1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 18078344
2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 98400376
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 42885435
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide
CID 961833

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione (CID 42897610) is 1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione is CN(Cc1c(F)cccc1Cl)C1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione?
The InChIKey is NBTBWMFPRWBCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-22(12-14-15(20)8-5-9-16(14)21)17-10-18(24)23(19(17)25)11-13-6-3-2-4-7-13/h2-9,17H,10-12H2,1H3.
What are the key properties of 1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione?
1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione has a molecular weight of 360.82 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 42897610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).