N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide

C17H13F2N3O2 — CID 134021244

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C17H13F2N3O2/c18-17(19)24-12-7-5-11(6-8-12)9-21-16(23)15-10-20-13-3-1-2-4-14(13)22-15/h1-8,10,17H,9H2,(H,21,23)
InChIKeyTWLXDQNXHMRQGX-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.16
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide (PubChem CID 134021244) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide
PubChem CID134021244
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C17H13F2N3O2/c18-17(19)24-12-7-5-11(6-8-12)9-21-16(23)15-10-20-13-3-1-2-4-14(13)22-15/h1-8,10,17H,9H2,(H,21,23)
InChIKeyTWLXDQNXHMRQGX-UHFFFAOYSA-N
XLogP3.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 36607696
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47109455
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 107518753
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
CID 55737335
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 42006153
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 43048623

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide (CID 134021244) is N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide is O=C(NCc1ccc(OC(F)F)cc1)c1cnc2ccccc2n1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide?
The InChIKey is TWLXDQNXHMRQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-17(19)24-12-7-5-11(6-8-12)9-21-16(23)15-10-20-13-3-1-2-4-14(13)22-15/h1-8,10,17H,9H2,(H,21,23).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 134021244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).