N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C18H14F2N2O3 — CID 17498612

IUPACN-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H14F2N2O3/c19-14-6-5-13(9-15(14)20)21-18(25)12-3-1-11(2-4-12)10-22-16(23)7-8-17(22)24/h1-6,9H,7-8,10H2,(H,21,25)
InChIKeyIOESUFLDVSPGED-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.87
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 17498612) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID17498612
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC NameN-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H14F2N2O3/c19-14-6-5-13(9-15(14)20)21-18(25)12-3-1-11(2-4-12)10-22-16(23)7-8-17(22)24/h1-6,9H,7-8,10H2,(H,21,25)
InChIKeyIOESUFLDVSPGED-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27648532
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9210364
N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 86931987
N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 47086337
6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide
CID 60597421
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 30873270
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55596850
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 46819418
3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927256
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 17498612) is N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is IOESUFLDVSPGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c19-14-6-5-13(9-15(14)20)21-18(25)12-3-1-11(2-4-12)10-22-16(23)7-8-17(22)24/h1-6,9H,7-8,10H2,(H,21,25).
What are the key properties of N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 344.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 17498612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).