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

C28H31FN2O3 — CID 26278688

IUPACN-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide
SMILESO=C(C[C@@]1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C28H31FN2O3/c29-24-13-7-6-12-23(24)28(17-26(33)31(27(28)34)22-10-4-5-11-22)16-25(32)30(19-21-14-15-21)18-20-8-2-1-3-9-20/h1-3,6-9,12-13,21-22H,4-5,10-11,14-19H2/t28-/m0/s1
InChIKeyZAEXZFGPWULJEY-NDEPHWFRSA-N
MW462.57 g/mol
LogP4.59
Rot. Bonds8

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

N-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 26278688) has the molecular formula C28H31FN2O3 and a molecular weight of 462.57 g/mol. Its IUPAC name is N-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID26278688
Molecular FormulaC28H31FN2O3
Molecular Weight462.57 g/mol
Exact Mass462.23
IUPAC NameN-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide
SMILESO=C(C[C@@]1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C28H31FN2O3/c29-24-13-7-6-12-23(24)28(17-26(33)31(27(28)34)22-10-4-5-11-22)16-25(32)30(19-21-14-15-21)18-20-8-2-1-3-9-20/h1-3,6-9,12-13,21-22H,4-5,10-11,14-19H2/t28-/m0/s1
InChIKeyZAEXZFGPWULJEY-NDEPHWFRSA-N
XLogP4.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.59
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

2-[3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-N-propylacetamide
CID 45192834
methyl 2-[[2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]-methylamino]acetate
CID 42164510
N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 125162818
2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 126462518
N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 45169609
2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methylacetamide
CID 26332977
2-[(3R)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 26274678
N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide
CID 42367187
N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 26277994
2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 42500376
methyl 2-[[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]-methylamino]acetate
CID 45181307
2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 42189960

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide (CID 26278688) is N-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide is O=C(C[C@@]1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O)N(Cc1ccccc1)CC1CC1.
What is the InChIKey of N-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is ZAEXZFGPWULJEY-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H31FN2O3/c29-24-13-7-6-12-23(24)28(17-26(33)31(27(28)34)22-10-4-5-11-22)16-25(32)30(19-21-14-15-21)18-20-8-2-1-3-9-20/h1-3,6-9,12-13,21-22H,4-5,10-11,14-19H2/t28-/m0/s1.
What are the key properties of N-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide?
N-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 462.57 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 26278688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).