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

C19H16F2N2O3 — CID 55596850

IUPACN-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H16F2N2O3/c20-15-7-13(8-16(21)9-15)10-22-19(26)14-3-1-12(2-4-14)11-23-17(24)5-6-18(23)25/h1-4,7-9H,5-6,10-11H2,(H,22,26)
InChIKeyQCIDZZKIEXHKNQ-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.54
Rot. Bonds5

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

N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55596850) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID55596850
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC NameN-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H16F2N2O3/c20-15-7-13(8-16(21)9-15)10-22-19(26)14-3-1-12(2-4-14)11-23-17(24)5-6-18(23)25/h1-4,7-9H,5-6,10-11H2,(H,22,26)
InChIKeyQCIDZZKIEXHKNQ-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.54
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

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 167938471
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
CID 71822308
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612
N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840611
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55847017
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide
CID 51195030
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 71890893
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(methylamino)propyl]benzamide
CID 119431505
N,1-bis[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840635
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55893148
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(3-fluorophenyl)methyl]benzamide
CID 53279655
N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119641489

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 55596850) is N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is O=C(NCc1cc(F)cc(F)c1)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is QCIDZZKIEXHKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c20-15-7-13(8-16(21)9-15)10-22-19(26)14-3-1-12(2-4-14)11-23-17(24)5-6-18(23)25/h1-4,7-9H,5-6,10-11H2,(H,22,26).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 358.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55596850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).