2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide

C22H22F3N3O — CID 70830006

IUPAC2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide
SMILESCC(C)CC1=NC(c2ccc(F)cc2)CN=C1NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C22H22F3N3O/c1-13(2)9-19-22(26-12-20(27-19)15-4-6-16(23)7-5-15)28-21(29)11-14-3-8-17(24)18(25)10-14/h3-8,10,13,20H,9,11-12H2,1-2H3,(H,26,28,29)
InChIKeyJUFWQWLFXTYEIE-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.40
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide

2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide (PubChem CID 70830006) has the molecular formula C22H22F3N3O and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide
PubChem CID70830006
Molecular FormulaC22H22F3N3O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC Name2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide
SMILESCC(C)CC1=NC(c2ccc(F)cc2)CN=C1NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C22H22F3N3O/c1-13(2)9-19-22(26-12-20(27-19)15-4-6-16(23)7-5-15)28-21(29)11-14-3-8-17(24)18(25)10-14/h3-8,10,13,20H,9,11-12H2,1-2H3,(H,26,28,29)
InChIKeyJUFWQWLFXTYEIE-UHFFFAOYSA-N
XLogP4.40
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-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

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-4-methyl-N-(1,4,4-trimethyl-6-oxo-2-phenyl-5H-pyrimidin-5-yl)pentanamide
CID 44344993
2-(4-Fluorophenyl)-6-(2-phenylacetyl)-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one
CID 156602397
(4aS,8aS)-2-(4-fluorophenyl)-6-(2-phenylacetyl)-4a,5,6,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 87054874
N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 136816360
5,5-Bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one
CID 10028237
5,5-Bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one
CID 10387394
5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one
CID 59317958
N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide
CID 59378100
N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide
CID 59661822
(2S)-2-[[(2S)-2-amino-3-(3,4-difluorophenyl)propanoyl]amino]-5-(1-aminoethylideneamino)-N-benzylpentanamide
CID 59906443
4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one
CID 67474804
3-(2,4-Difluorophenyl)-7-(4-methylphenyl)-2,4-diazabicyclo[4.1.0]hept-2-en-5-one
CID 68105076

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide (CID 70830006) is 2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide is CC(C)CC1=NC(c2ccc(F)cc2)CN=C1NC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide?
The InChIKey is JUFWQWLFXTYEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O/c1-13(2)9-19-22(26-12-20(27-19)15-4-6-16(23)7-5-15)28-21(29)11-14-3-8-17(24)18(25)10-14/h3-8,10,13,20H,9,11-12H2,1-2H3,(H,26,28,29).
What are the key properties of 2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide?
2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide has a molecular weight of 401.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)-6-(2-methylpropyl)-2,3-dihydropyrazin-5-yl]acetamide is sourced from PubChem (CID 70830006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).