4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide

C15H15F2N3O2 — CID 90653962

IUPAC4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cnccn1)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H15F2N3O2/c1-10(8-12-9-18-6-7-19-12)20-14(21)11-2-4-13(5-3-11)22-15(16)17/h2-7,9-10,15H,8H2,1H3,(H,20,21)
InChIKeyLADNZGTXVAVIIK-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.44
Rot. Bonds6

About 4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide

4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide (PubChem CID 90653962) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
PubChem CID90653962
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cnccn1)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H15F2N3O2/c1-10(8-12-9-18-6-7-19-12)20-14(21)11-2-4-13(5-3-11)22-15(16)17/h2-7,9-10,15H,8H2,1H3,(H,20,21)
InChIKeyLADNZGTXVAVIIK-UHFFFAOYSA-N
XLogP2.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide
CID 114305939
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide
CID 42361309
4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
CID 119073466
N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide
CID 62763062
5-methyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazine-2-carboxamide
CID 91779730
2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97192955
4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 97129067
2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 45236623
N-(1-pyrazin-2-ylpropan-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 91782196
2-amino-4-methyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 99954745
N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide
CID 55032759

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide (CID 90653962) is 4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide is CC(Cc1cnccn1)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide?
The InChIKey is LADNZGTXVAVIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-10(8-12-9-18-6-7-19-12)20-14(21)11-2-4-13(5-3-11)22-15(16)17/h2-7,9-10,15H,8H2,1H3,(H,20,21).
What are the key properties of 4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide?
4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide has a molecular weight of 307.30 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 90653962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).