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

C22H17FN2O4 — CID 46570175

IUPACN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H17FN2O4/c23-17-4-2-1-3-16(17)18-9-10-19(29-18)22(28)24-15-7-5-14(6-8-15)13-25-20(26)11-12-21(25)27/h1-10H,11-13H2,(H,24,28)
InChIKeyRPPZWVKRTZCIKC-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.99
Rot. Bonds5

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

N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 46570175) has the molecular formula C22H17FN2O4 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID46570175
Molecular FormulaC22H17FN2O4
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H17FN2O4/c23-17-4-2-1-3-16(17)18-9-10-19(29-18)22(28)24-15-7-5-14(6-8-15)13-25-20(26)11-12-21(25)27/h1-10H,11-13H2,(H,24,28)
InChIKeyRPPZWVKRTZCIKC-UHFFFAOYSA-N
XLogP3.99
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.99
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

N-(4-acetamidophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 1251716
N-[4-(difluoromethoxy)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 9427796
N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 3872686
5-(2-fluorophenyl)-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 9429381
N-(3-carbamoyl-4-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 46400813
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 35343898
5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
CID 17472963
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide
CID 35341141
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 24682818
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612
N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 134014960

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide (CID 46570175) is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide is O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is RPPZWVKRTZCIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4/c23-17-4-2-1-3-16(17)18-9-10-19(29-18)22(28)24-15-7-5-14(6-8-15)13-25-20(26)11-12-21(25)27/h1-10H,11-13H2,(H,24,28).
What are the key properties of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide?
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 46570175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).