2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide

C22H15Cl2N3O3 — CID 55751105

IUPAC2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
SMILESO=C1CN(C(=O)c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)c2ccccc2N1
InChIInChI=1S/C22H15Cl2N3O3/c23-16-5-3-4-15(20(16)24)21(29)25-14-10-8-13(9-11-14)22(30)27-12-19(28)26-17-6-1-2-7-18(17)27/h1-11H,12H2,(H,25,29)(H,26,28)
InChIKeyFNNVRUIFHXNJJL-UHFFFAOYSA-N
MW440.29 g/mol
LogP4.84
Rot. Bonds3

About 2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide

2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide (PubChem CID 55751105) has the molecular formula C22H15Cl2N3O3 and a molecular weight of 440.29 g/mol. Its IUPAC name is 2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
PubChem CID55751105
Molecular FormulaC22H15Cl2N3O3
Molecular Weight440.29 g/mol
Exact Mass439.05
IUPAC Name2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
SMILESO=C1CN(C(=O)c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)c2ccccc2N1
InChIInChI=1S/C22H15Cl2N3O3/c23-16-5-3-4-15(20(16)24)21(29)25-14-10-8-13(9-11-14)22(30)27-12-19(28)26-17-6-1-2-7-18(17)27/h1-11H,12H2,(H,25,29)(H,26,28)
InChIKeyFNNVRUIFHXNJJL-UHFFFAOYSA-N
XLogP4.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798550
3-acetamido-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751098
2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide
CID 67625330
5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55750849
4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 55750839
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide
CID 55799126
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750721
2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798612
3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750751
4-(methylsulfonylmethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751111
3-(cyanomethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 78891272
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55798615

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide (CID 55751105) is 2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide is O=C1CN(C(=O)c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)c2ccccc2N1.
What is the InChIKey of 2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
The InChIKey is FNNVRUIFHXNJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O3/c23-16-5-3-4-15(20(16)24)21(29)25-14-10-8-13(9-11-14)22(30)27-12-19(28)26-17-6-1-2-7-18(17)27/h1-11H,12H2,(H,25,29)(H,26,28).
What are the key properties of 2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide has a molecular weight of 440.29 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 55751105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).