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

C18H15F2N3O — CID 31351364

IUPACN-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide
SMILESC[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C18H15F2N3O/c1-11(12-7-8-13(19)14(20)9-12)23(2)18(24)17-10-21-15-5-3-4-6-16(15)22-17/h3-11H,1-2H3/t11-/m1/s1
InChIKeyJTMNPDJFWFQNDS-LLVKDONJSA-N
MW327.33 g/mol
LogP3.74
Rot. Bonds3

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

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide (PubChem CID 31351364) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide
PubChem CID31351364
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC NameN-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide
SMILESC[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C18H15F2N3O/c1-11(12-7-8-13(19)14(20)9-12)23(2)18(24)17-10-21-15-5-3-4-6-16(15)22-17/h3-11H,1-2H3/t11-/m1/s1
InChIKeyJTMNPDJFWFQNDS-LLVKDONJSA-N
XLogP3.74
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide
CID 134013463
6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874208
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide
CID 95614602
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide
CID 107356576
N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide
CID 46546463
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide
CID 55731326
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
CID 55509693
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625425
5-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 99851696

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide (CID 31351364) is N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide is C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide?
The InChIKey is JTMNPDJFWFQNDS-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-11(12-7-8-13(19)14(20)9-12)23(2)18(24)17-10-21-15-5-3-4-6-16(15)22-17/h3-11H,1-2H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide?
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide is sourced from PubChem (CID 31351364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).