N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide

C20H19FN2O3 — CID 35343898

IUPACN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)Nc1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H19FN2O3/c21-17-4-2-1-3-15(17)7-10-18(24)22-16-8-5-14(6-9-16)13-23-19(25)11-12-20(23)26/h1-6,8-9H,7,10-13H2,(H,22,24)
InChIKeyAFIYWROYRCQTNR-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.05
Rot. Bonds6

About N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide

N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide (PubChem CID 35343898) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide
PubChem CID35343898
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)Nc1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H19FN2O3/c21-17-4-2-1-3-15(17)7-10-18(24)22-16-8-5-14(6-9-16)13-23-19(25)11-12-20(23)26/h1-6,8-9H,7,10-13H2,(H,22,24)
InChIKeyAFIYWROYRCQTNR-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 46568652
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
CID 100714513
3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26716432
3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 35344493
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089
3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 47067445
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 46570175
3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 120608825
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 108923344
3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38196539
N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide
CID 17400855

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide (CID 35343898) is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide is O=C(CCc1ccccc1F)Nc1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is AFIYWROYRCQTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-17-4-2-1-3-15(17)7-10-18(24)22-16-8-5-14(6-9-16)13-23-19(25)11-12-20(23)26/h1-6,8-9H,7,10-13H2,(H,22,24).
What are the key properties of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide?
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 354.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 35343898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).