N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide

C18H16FN3O — CID 110723812

IUPACN-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2nc1C
InChIInChI=1S/C18H16FN3O/c1-11-12(2)21-17-10-15(7-8-16(17)20-11)22-18(23)9-13-3-5-14(19)6-4-13/h3-8,10H,9H2,1-2H3,(H,22,23)
InChIKeyPJDOXMOQQDJSAM-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.57
Rot. Bonds3

About N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide

N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 110723812) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide
PubChem CID110723812
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2nc1C
InChIInChI=1S/C18H16FN3O/c1-11-12(2)21-17-10-15(7-8-16(17)20-11)22-18(23)9-13-3-5-14(19)6-4-13/h3-8,10H,9H2,1-2H3,(H,22,23)
InChIKeyPJDOXMOQQDJSAM-UHFFFAOYSA-N
XLogP3.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylquinoxalin-6-yl)propanamide
CID 110723790
N-(2,3-dimethylquinoxalin-6-yl)-2-(1H-indol-3-yl)acetamide
CID 110743801
N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 110728862
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]carbamic acid
CID 118453878
3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea
CID 108885600
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide (CID 110723812) is N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide is Cc1nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2nc1C.
What is the InChIKey of N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is PJDOXMOQQDJSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-11-12(2)21-17-10-15(7-8-16(17)20-11)22-18(23)9-13-3-5-14(19)6-4-13/h3-8,10H,9H2,1-2H3,(H,22,23).
What are the key properties of N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide?
N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 309.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110723812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).