N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

C25H27FN2O3 — CID 45188601

IUPACN-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CC1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C25H27FN2O3/c1-27(17-18-9-3-2-4-10-18)22(29)15-25(20-13-7-8-14-21(20)26)16-23(30)28(24(25)31)19-11-5-6-12-19/h2-4,7-10,13-14,19H,5-6,11-12,15-17H2,1H3
InChIKeyYPFRGIMVQTYLGD-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.81
Rot. Bonds6

About N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 45188601) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID45188601
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC NameN-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CC1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C25H27FN2O3/c1-27(17-18-9-3-2-4-10-18)22(29)15-25(20-13-7-8-14-21(20)26)16-23(30)28(24(25)31)19-11-5-6-12-19/h2-4,7-10,13-14,19H,5-6,11-12,15-17H2,1H3
InChIKeyYPFRGIMVQTYLGD-UHFFFAOYSA-N
XLogP3.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.81
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

1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
N-Methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamide
CID 190901
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
5-methyl-2-(1-phenylethyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2971730
1-[3-(2,6-Dimethyl-piperidin-1-yl)-propyl]-3,3-diphenyl-pyrrolidine-2,5-dione
CID 10319059
(3R,3aR,7aR)-2-benzyl-3-[2-fluoro-4-[(E)-2-phenylethenyl]phenyl]-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one
CID 16060481
(3R,3aR,7aR)-2-benzyl-3-[4-fluoro-3-[(E)-2-phenylethenyl]phenyl]-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one
CID 16060505
(3R,3aR,7aR)-2-benzyl-7a-methyl-3-[4-(trifluoromethyl)phenyl]-3,3a,6,7-tetrahydroisoindol-1-one
CID 16060513
(3R,3aS,7R,7aS)-2-benzyl-3-[2-fluoro-4-[(E)-oct-1-enyl]phenyl]-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746333
(3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565208
1-Benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2849902
Succinimide, N-benzyl-3-phenyl-
CID 206102

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (CID 45188601) is N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CC1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is YPFRGIMVQTYLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-27(17-18-9-3-2-4-10-18)22(29)15-25(20-13-7-8-14-21(20)26)16-23(30)28(24(25)31)19-11-5-6-12-19/h2-4,7-10,13-14,19H,5-6,11-12,15-17H2,1H3.
What are the key properties of N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 422.50 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 45188601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).