N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide

C19H19FN2O4 — CID 23859372

IUPACN-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide
SMILESCC(C)(C)N(C(=O)c1ccco1)C1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H19FN2O4/c1-19(2,3)22(18(25)15-5-4-10-26-15)14-11-16(23)21(17(14)24)13-8-6-12(20)7-9-13/h4-10,14H,11H2,1-3H3
InChIKeyBYDHUFRRNFUYJY-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.99
Rot. Bonds3

About N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide

N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 23859372) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide
PubChem CID23859372
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC NameN-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide
SMILESCC(C)(C)N(C(=O)c1ccco1)C1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H19FN2O4/c1-19(2,3)22(18(25)15-5-4-10-26-15)14-11-16(23)21(17(14)24)13-8-6-12(20)7-9-13/h4-10,14H,11H2,1-3H3
InChIKeyBYDHUFRRNFUYJY-UHFFFAOYSA-N
XLogP2.99
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.99
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

[4-[3-[tert-butyl-(4-fluorobenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23745281
2-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzamide
CID 23916507
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 3121019
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide
CID 23802210
N-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 1364893
N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide
CID 23802209
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide
CID 23942980
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide
CID 23915227
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 23971103
N-tert-butyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23859411
N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23970972
(3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 931022

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide (CID 23859372) is N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide is CC(C)(C)N(C(=O)c1ccco1)C1CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is BYDHUFRRNFUYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-19(2,3)22(18(25)15-5-4-10-26-15)14-11-16(23)21(17(14)24)13-8-6-12(20)7-9-13/h4-10,14H,11H2,1-3H3.
What are the key properties of N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide?
N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 23859372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).