2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide

C18H14ClN3O2 — CID 173127851

IUPAC2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide
SMILESNC(=O)c1cc(Oc2ccccc2)ccc1Cc1nccnc1Cl
InChIInChI=1S/C18H14ClN3O2/c19-17-16(21-8-9-22-17)10-12-6-7-14(11-15(12)18(20)23)24-13-4-2-1-3-5-13/h1-9,11H,10H2,(H2,20,23)
InChIKeyHFPLOXLZRHOQJJ-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.61
Rot. Bonds5

About 2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide

2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide (PubChem CID 173127851) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide.

Molecular Properties

Compound Name2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide
PubChem CID173127851
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide
SMILESNC(=O)c1cc(Oc2ccccc2)ccc1Cc1nccnc1Cl
InChIInChI=1S/C18H14ClN3O2/c19-17-16(21-8-9-22-17)10-12-6-7-14(11-15(12)18(20)23)24-13-4-2-1-3-5-13/h1-9,11H,10H2,(H2,20,23)
InChIKeyHFPLOXLZRHOQJJ-UHFFFAOYSA-N
XLogP3.61
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-phenoxybenzamide;hydrochloride
CID 174534962
3,5-dichloroaniline;2-methyl-4-phenoxybenzamide
CID 174930679
1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one
CID 83988037
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161
6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118038351
2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267164
4-chloro-2-(5-phenoxy-2-pyridinyl)benzamide
CID 163208536
5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid
CID 106502994
ethane;2-(4-phenoxyphenyl)acetamide
CID 142070944
5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide
CID 141087482
(2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate
CID 57218645
2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide?
The IUPAC name of 2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide (CID 173127851) is 2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide.
What is the SMILES notation for 2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide?
The canonical SMILES for 2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide is NC(=O)c1cc(Oc2ccccc2)ccc1Cc1nccnc1Cl.
What is the InChIKey of 2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide?
The InChIKey is HFPLOXLZRHOQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-17-16(21-8-9-22-17)10-12-6-7-14(11-15(12)18(20)23)24-13-4-2-1-3-5-13/h1-9,11H,10H2,(H2,20,23).
What are the key properties of 2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide?
2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide has a molecular weight of 339.78 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide is sourced from PubChem (CID 173127851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).