N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide

C17H13F2N3O — CID 134013463

IUPACN-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide
SMILESCC(NC(=O)c1cnc2ccccc2n1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13F2N3O/c1-10(11-6-7-12(18)13(19)8-11)21-17(23)16-9-20-14-4-2-3-5-15(14)22-16/h2-10H,1H3,(H,21,23)
InChIKeyYYUZGOGRADYPNN-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.40
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide

N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide (PubChem CID 134013463) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide
PubChem CID134013463
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide
SMILESCC(NC(=O)c1cnc2ccccc2n1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13F2N3O/c1-10(11-6-7-12(18)13(19)8-11)21-17(23)16-9-20-14-4-2-3-5-15(14)22-16/h2-10H,1H3,(H,21,23)
InChIKeyYYUZGOGRADYPNN-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31351364
6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 175938262
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide
CID 41082957
N-[1-(5-methylfuran-2-yl)ethyl]quinoxaline-2-carboxamide
CID 46443465
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-[1-(3,4-difluorophenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 134049414
6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
CID 61040801
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide
CID 46474012
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 91786383
2-bromo-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 86669507
6-chloro-N-propan-2-ylquinoxaline-2-carboxamide
CID 171573867
N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
CID 61246505

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide (CID 134013463) is N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide is CC(NC(=O)c1cnc2ccccc2n1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide?
The InChIKey is YYUZGOGRADYPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c1-10(11-6-7-12(18)13(19)8-11)21-17(23)16-9-20-14-4-2-3-5-15(14)22-16/h2-10H,1H3,(H,21,23).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide?
N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 134013463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).