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

C24H19F2N3O5 — CID 55798612

IUPAC2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)c1OC(F)F
InChIInChI=1S/C24H19F2N3O5/c1-33-19-8-4-5-16(21(19)34-24(25)26)22(31)27-15-11-9-14(10-12-15)23(32)29-13-20(30)28-17-6-2-3-7-18(17)29/h2-12,24H,13H2,1H3,(H,27,31)(H,28,30)
InChIKeyPKVFOBYIVGQXQO-UHFFFAOYSA-N
MW467.43 g/mol
LogP4.15
Rot. Bonds6

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

2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide (PubChem CID 55798612) has the molecular formula C24H19F2N3O5 and a molecular weight of 467.43 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
PubChem CID55798612
Molecular FormulaC24H19F2N3O5
Molecular Weight467.43 g/mol
Exact Mass467.13
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)c1OC(F)F
InChIInChI=1S/C24H19F2N3O5/c1-33-19-8-4-5-16(21(19)34-24(25)26)22(31)27-15-11-9-14(10-12-15)23(32)29-13-20(30)28-17-6-2-3-7-18(17)29/h2-12,24H,13H2,1H3,(H,27,31)(H,28,30)
InChIKeyPKVFOBYIVGQXQO-UHFFFAOYSA-N
XLogP4.15
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750751
2,3-dimethyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798550
2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751105
4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 17456605
3-acetamido-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751098
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide
CID 55799126
2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
CID 55750843
4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 30713300
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750721
4-(methylsulfonylmethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751111
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55750902
1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 55751191

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide (CID 55798612) is 2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
The InChIKey is PKVFOBYIVGQXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O5/c1-33-19-8-4-5-16(21(19)34-24(25)26)22(31)27-15-11-9-14(10-12-15)23(32)29-13-20(30)28-17-6-2-3-7-18(17)29/h2-12,24H,13H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide has a molecular weight of 467.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 55798612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).