2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide

C23H17ClFN3O3 — CID 2107253

IUPAC2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide
SMILESO=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)Nc1cccc(F)c1
InChIInChI=1S/C23H17ClFN3O3/c24-16-9-10-19-20(11-16)28(14-21(29)26-18-8-4-7-17(25)12-18)23(31)22(30)27(19)13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,26,29)
InChIKeyNTZFMUWFXFTZDP-UHFFFAOYSA-N
MW437.86 g/mol
LogP3.64
Rot. Bonds5

About 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide

2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 2107253) has the molecular formula C23H17ClFN3O3 and a molecular weight of 437.86 g/mol. Its IUPAC name is 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide
PubChem CID2107253
Molecular FormulaC23H17ClFN3O3
Molecular Weight437.86 g/mol
Exact Mass437.09
IUPAC Name2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide
SMILESO=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)Nc1cccc(F)c1
InChIInChI=1S/C23H17ClFN3O3/c24-16-9-10-19-20(11-16)28(14-21(29)26-18-8-4-7-17(25)12-18)23(31)22(30)27(19)13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,26,29)
InChIKeyNTZFMUWFXFTZDP-UHFFFAOYSA-N
XLogP3.64
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.86
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 2670221
(E)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 2670238
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 8071321
N-(2-(3-(4-(4-fluorobenzyl)piperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10001921
N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide
CID 139295362
4-(2-Benzylaminoacetyl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 2436038
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 970465
N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 2107332
4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 2109019
2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide
CID 2117758
2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide
CID 2441441

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide (CID 2107253) is 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide is O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)Nc1cccc(F)c1.
What is the InChIKey of 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is NTZFMUWFXFTZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O3/c24-16-9-10-19-20(11-16)28(14-21(29)26-18-8-4-7-17(25)12-18)23(31)22(30)27(19)13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,26,29).
What are the key properties of 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide?
2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 437.86 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 2107253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).