2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide

C23H21F2N3O2 — CID 143001294

IUPAC2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide
SMILESCOc1ccc(-c2cnc(NC(=O)Cc3ccc(F)c(F)c3)c(C=C(C)C)n2)cc1
InChIInChI=1S/C23H21F2N3O2/c1-14(2)10-20-23(28-22(29)12-15-4-9-18(24)19(25)11-15)26-13-21(27-20)16-5-7-17(30-3)8-6-16/h4-11,13H,12H2,1-3H3,(H,26,28,29)
InChIKeyZHVJLZZQNBHHTF-UHFFFAOYSA-N
MW409.44 g/mol
LogP5.03
Rot. Bonds6

About 2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide

2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide (PubChem CID 143001294) has the molecular formula C23H21F2N3O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide
PubChem CID143001294
Molecular FormulaC23H21F2N3O2
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide
SMILESCOc1ccc(-c2cnc(NC(=O)Cc3ccc(F)c(F)c3)c(C=C(C)C)n2)cc1
InChIInChI=1S/C23H21F2N3O2/c1-14(2)10-20-23(28-22(29)12-15-4-9-18(24)19(25)11-15)26-13-21(27-20)16-5-7-17(30-3)8-6-16/h4-11,13H,12H2,1-3H3,(H,26,28,29)
InChIKeyZHVJLZZQNBHHTF-UHFFFAOYSA-N
XLogP5.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide 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

2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide
CID 137098129
2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide
CID 70830301
N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 123435419
N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
CID 77496997
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
N-[3-benzyl-5-(4-methylphenyl)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide;dichloromethane;tribromoborane
CID 123158666
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
CID 59510400
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide
CID 143001210
2-phenyl-N-[5-phenyl-3-(2-phenylethenyl)pyrazin-2-yl]acetamide
CID 77496875
N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide
CID 70830199

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide (CID 143001294) is 2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide is COc1ccc(-c2cnc(NC(=O)Cc3ccc(F)c(F)c3)c(C=C(C)C)n2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide?
The InChIKey is ZHVJLZZQNBHHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2/c1-14(2)10-20-23(28-22(29)12-15-4-9-18(24)19(25)11-15)26-13-21(27-20)16-5-7-17(30-3)8-6-16/h4-11,13H,12H2,1-3H3,(H,26,28,29).
What are the key properties of 2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide?
2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide has a molecular weight of 409.44 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[5-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide is sourced from PubChem (CID 143001294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).