N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

C15H11ClFN3O2 — CID 84524812

IUPACN-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESO=C1CN(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2N1
InChIInChI=1S/C15H11ClFN3O2/c16-10-7-9(5-6-11(10)17)18-15(22)20-8-14(21)19-12-3-1-2-4-13(12)20/h1-7H,8H2,(H,18,22)(H,19,21)
InChIKeyIXKKGNQAGZKECQ-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.47
Rot. Bonds1

About N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 84524812) has the molecular formula C15H11ClFN3O2 and a molecular weight of 319.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID84524812
Molecular FormulaC15H11ClFN3O2
Molecular Weight319.72 g/mol
Exact Mass319.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESO=C1CN(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2N1
InChIInChI=1S/C15H11ClFN3O2/c16-10-7-9(5-6-11(10)17)18-15(22)20-8-14(21)19-12-3-1-2-4-13(12)20/h1-7H,8H2,(H,18,22)(H,19,21)
InChIKeyIXKKGNQAGZKECQ-UHFFFAOYSA-N
XLogP3.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane
CID 170568802
N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 60639702
3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide
CID 170568767
4-[2-(5-chloro-2,4-difluorophenyl)acetyl]-N-(3-chloro-4-fluorophenyl)-2,3-dihydroquinoxaline-1-carboxamide
CID 163759003
4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753
2-(2,5-dichlorophenoxy)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
CID 55751125
4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 55750839
N-(3-chloro-4-fluorophenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521581
4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8578040
2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
2-(2,4-dichlorophenoxy)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide
CID 55750853
4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (CID 84524812) is N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is O=C1CN(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2N1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is IXKKGNQAGZKECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2/c16-10-7-9(5-6-11(10)17)18-15(22)20-8-14(21)19-12-3-1-2-4-13(12)20/h1-7H,8H2,(H,18,22)(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 319.72 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 84524812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).