N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide

C14H14ClN3O — CID 104964161

IUPACN-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cnc(Cl)cn2)cc1
InChIInChI=1S/C14H14ClN3O/c1-9(2)10-3-5-11(6-4-10)14(19)18-13-8-16-12(15)7-17-13/h3-9H,1-2H3,(H,17,18,19)
InChIKeyBXDKZURHJCVWBX-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.51
Rot. Bonds3

About N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide

N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide (PubChem CID 104964161) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
PubChem CID104964161
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cnc(Cl)cn2)cc1
InChIInChI=1S/C14H14ClN3O/c1-9(2)10-3-5-11(6-4-10)14(19)18-13-8-16-12(15)7-17-13/h3-9H,1-2H3,(H,17,18,19)
InChIKeyBXDKZURHJCVWBX-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide
CID 107595711
N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 60522017
N-(5-propan-2-yl-2-pyridinyl)benzamide
CID 170385560
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methylbenzamide
CID 107595708
3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide
CID 104964163
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide
CID 107595855
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide
CID 107595847
N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide
CID 104964229
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 102674107
N-(5-chloropyrazin-2-yl)-3H-benzimidazole-5-carboxamide
CID 107595732

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide (CID 104964161) is N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2cnc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide?
The InChIKey is BXDKZURHJCVWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9(2)10-3-5-11(6-4-10)14(19)18-13-8-16-12(15)7-17-13/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide?
N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide has a molecular weight of 275.74 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 104964161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).