N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide

C25H25FN2O3 — CID 23888489

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide
SMILESO=C1CC(N(CCC2=CCCCC2)C(=O)c2ccccc2F)C(=O)N1c1ccccc1
InChIInChI=1S/C25H25FN2O3/c26-21-14-8-7-13-20(21)24(30)27(16-15-18-9-3-1-4-10-18)22-17-23(29)28(25(22)31)19-11-5-2-6-12-19/h2,5-9,11-14,22H,1,3-4,10,15-17H2
InChIKeyBTGBGBXJMAKRMI-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.49
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide

N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide (PubChem CID 23888489) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide
PubChem CID23888489
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide
SMILESO=C1CC(N(CCC2=CCCCC2)C(=O)c2ccccc2F)C(=O)N1c1ccccc1
InChIInChI=1S/C25H25FN2O3/c26-21-14-8-7-13-20(21)24(30)27(16-15-18-9-3-1-4-10-18)22-17-23(29)28(25(22)31)19-11-5-2-6-12-19/h2,5-9,11-14,22H,1,3-4,10,15-17H2
InChIKeyBTGBGBXJMAKRMI-UHFFFAOYSA-N
XLogP4.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-methylbenzamide
CID 23972636
N-[2-(cyclohexen-1-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23859261
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide
CID 23745245
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 23802075
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]-2-phenoxyacetamide
CID 23915120
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluorobenzamide
CID 23944461
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 23944470
N-[2-(cyclohexen-1-yl)ethyl]-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide
CID 23860772
N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide
CID 23859165
N-[2-(cyclohexen-1-yl)ethyl]-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide
CID 23860842
N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 23998954
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide
CID 25043381

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide (CID 23888489) is N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide is O=C1CC(N(CCC2=CCCCC2)C(=O)c2ccccc2F)C(=O)N1c1ccccc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide?
The InChIKey is BTGBGBXJMAKRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c26-21-14-8-7-13-20(21)24(30)27(16-15-18-9-3-1-4-10-18)22-17-23(29)28(25(22)31)19-11-5-2-6-12-19/h2,5-9,11-14,22H,1,3-4,10,15-17H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide has a molecular weight of 420.48 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 23888489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).