2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide

C15H16ClN3O — CID 102989374

IUPAC2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide
SMILESCC(C)(C)c1ccccc1C(=O)Nc1nccnc1Cl
InChIInChI=1S/C15H16ClN3O/c1-15(2,3)11-7-5-4-6-10(11)14(20)19-13-12(16)17-8-9-18-13/h4-9H,1-3H3,(H,18,19,20)
InChIKeyBXDKPZWNXKVRGG-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.68
Rot. Bonds2

About 2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide

2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide (PubChem CID 102989374) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide.

Molecular Properties

Compound Name2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide
PubChem CID102989374
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide
SMILESCC(C)(C)c1ccccc1C(=O)Nc1nccnc1Cl
InChIInChI=1S/C15H16ClN3O/c1-15(2,3)11-7-5-4-6-10(11)14(20)19-13-12(16)17-8-9-18-13/h4-9H,1-3H3,(H,18,19,20)
InChIKeyBXDKPZWNXKVRGG-UHFFFAOYSA-N
XLogP3.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide
CID 102989278
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide
CID 102989362
2-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
CID 102989369
2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298256
2-tert-butyl-N'-(2-hydroxybenzoyl)benzohydrazide
CID 66844777
(2-tert-butylphenyl)-(2-chlorophenyl)methanone
CID 14145194
N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide
CID 102989237
N-(3-chloropyrazin-2-yl)-1H-pyrazole-5-carboxamide
CID 102989436
N-(3-chloropyrazin-2-yl)-1,2-oxazole-3-carboxamide
CID 102989094

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide?
The IUPAC name of 2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide (CID 102989374) is 2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide.
What is the SMILES notation for 2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide?
The canonical SMILES for 2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide is CC(C)(C)c1ccccc1C(=O)Nc1nccnc1Cl.
What is the InChIKey of 2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide?
The InChIKey is BXDKPZWNXKVRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-15(2,3)11-7-5-4-6-10(11)14(20)19-13-12(16)17-8-9-18-13/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide?
2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide has a molecular weight of 289.77 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide is sourced from PubChem (CID 102989374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).