N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide

C24H27FN2O3 — CID 23802165

IUPACN-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
SMILESCc1ccc(N2C(=O)CC(N(Cc3ccc(F)cc3)C(=O)CC(C)(C)C)C2=O)cc1
InChIInChI=1S/C24H27FN2O3/c1-16-5-11-19(12-6-16)27-21(28)13-20(23(27)30)26(22(29)14-24(2,3)4)15-17-7-9-18(25)10-8-17/h5-12,20H,13-15H2,1-4H3
InChIKeyHSURZJPOIFXRLE-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.23
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide

N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide (PubChem CID 23802165) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
PubChem CID23802165
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC NameN-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
SMILESCc1ccc(N2C(=O)CC(N(Cc3ccc(F)cc3)C(=O)CC(C)(C)C)C2=O)cc1
InChIInChI=1S/C24H27FN2O3/c1-16-5-11-19(12-6-16)27-21(28)13-20(23(27)30)26(22(29)14-24(2,3)4)15-17-7-9-18(25)10-8-17/h5-12,20H,13-15H2,1-4H3
InChIKeyHSURZJPOIFXRLE-UHFFFAOYSA-N
XLogP4.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.23
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

3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23743856
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23860826
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 23943166
N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23774596
N-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23915049
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23916633
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 23859178
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 23802029
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23859152
methyl 4-[3-[butanoyl-[(4-fluorophenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23915163
N-[(4-fluorophenyl)methyl]-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23998767
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 23944483

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide (CID 23802165) is N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide is Cc1ccc(N2C(=O)CC(N(Cc3ccc(F)cc3)C(=O)CC(C)(C)C)C2=O)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide?
The InChIKey is HSURZJPOIFXRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-16-5-11-19(12-6-16)27-21(28)13-20(23(27)30)26(22(29)14-24(2,3)4)15-17-7-9-18(25)10-8-17/h5-12,20H,13-15H2,1-4H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide?
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide has a molecular weight of 410.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide is sourced from PubChem (CID 23802165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).