4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

C20H19FN2O4 — CID 51214323

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1F
InChIInChI=1S/C20H19FN2O4/c1-12(14-5-8-17(27-2)16(21)11-14)22-20(26)13-3-6-15(7-4-13)23-18(24)9-10-19(23)25/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)
InChIKeyFUALGVFMVLAGEN-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.98
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (PubChem CID 51214323) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
PubChem CID51214323
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1F
InChIInChI=1S/C20H19FN2O4/c1-12(14-5-8-17(27-2)16(21)11-14)22-20(26)13-3-6-15(7-4-13)23-18(24)9-10-19(23)25/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)
InChIKeyFUALGVFMVLAGEN-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533466
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 51881405
4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 46530040
3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100614102
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968315

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (CID 51214323) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(C)NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1F.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The InChIKey is FUALGVFMVLAGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-12(14-5-8-17(27-2)16(21)11-14)22-20(26)13-3-6-15(7-4-13)23-18(24)9-10-19(23)25/h3-8,11-12H,9-10H2,1-2H3,(H,22,26).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide has a molecular weight of 370.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 51214323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).