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

C23H16ClF2N3O3 — CID 2117758

IUPAC2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)Nc1ccc(F)cc1F
InChIInChI=1S/C23H16ClF2N3O3/c24-15-6-9-19-20(10-15)29(13-21(30)27-18-8-7-16(25)11-17(18)26)23(32)22(31)28(19)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,27,30)
InChIKeyQPMDPNLABAHFIK-UHFFFAOYSA-N
MW455.85 g/mol
LogP3.78
Rot. Bonds5

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

2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide (PubChem CID 2117758) has the molecular formula C23H16ClF2N3O3 and a molecular weight of 455.85 g/mol. Its IUPAC name is 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide
PubChem CID2117758
Molecular FormulaC23H16ClF2N3O3
Molecular Weight455.85 g/mol
Exact Mass455.08
IUPAC Name2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)Nc1ccc(F)cc1F
InChIInChI=1S/C23H16ClF2N3O3/c24-15-6-9-19-20(10-15)29(13-21(30)27-18-8-7-16(25)11-17(18)26)23(32)22(31)28(19)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,27,30)
InChIKeyQPMDPNLABAHFIK-UHFFFAOYSA-N
XLogP3.78
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.85
LogP ≤ 53.78
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-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide
CID 10152629
N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide
CID 10196214
N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide
CID 10239448
N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3,5-difluorophenyl)phenyl]piperidin-4-yl]amino]acetamide
CID 10311798
N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide
CID 139295362
2-[7-chloro-2,3-dioxo-4-(phenylmethyl)-1-quinoxalinyl]-N-(3-fluorophenyl)acetamide
CID 2107253
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide (CID 2117758) is 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide is O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is QPMDPNLABAHFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N3O3/c24-15-6-9-19-20(10-15)29(13-21(30)27-18-8-7-16(25)11-17(18)26)23(32)22(31)28(19)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,27,30).
What are the key properties of 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide?
2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 455.85 g/mol, XLogP of 3.78, 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-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 2117758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).