N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide

C17H15FN2O4 — CID 3121019

IUPACN-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccco1)C1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H15FN2O4/c1-11(21)19(10-14-3-2-8-24-14)15-9-16(22)20(17(15)23)13-6-4-12(18)5-7-13/h2-8,15H,9-10H2,1H3
InChIKeyURGAHFWBICCGBM-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.10
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide

N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3121019) has the molecular formula C17H15FN2O4 and a molecular weight of 330.31 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID3121019
Molecular FormulaC17H15FN2O4
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC NameN-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccco1)C1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H15FN2O4/c1-11(21)19(10-14-3-2-8-24-14)15-9-16(22)20(17(15)23)13-6-4-12(18)5-7-13/h2-8,15H,9-10H2,1H3
InChIKeyURGAHFWBICCGBM-UHFFFAOYSA-N
XLogP2.10
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 1364893
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 25036334
N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 1109163
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 2866571
2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23832287
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 3121023
N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23802125
N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23915182
N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743595
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 23915164
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 23830936
4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate
CID 6973834

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide (CID 3121019) is N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide is CC(=O)N(Cc1ccco1)C1CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is URGAHFWBICCGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-11(21)19(10-14-3-2-8-24-14)15-9-16(22)20(17(15)23)13-6-4-12(18)5-7-13/h2-8,15H,9-10H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 330.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3121019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).