5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide

C12H9Cl2N3O — CID 102989278

IUPAC5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)Nc1nccnc1Cl
InChIInChI=1S/C12H9Cl2N3O/c1-7-2-3-8(13)6-9(7)12(18)17-11-10(14)15-4-5-16-11/h2-6H,1H3,(H,16,17,18)
InChIKeyHGIJNZMZOAHXIB-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.34
Rot. Bonds2

About 5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide

5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide (PubChem CID 102989278) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide
PubChem CID102989278
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)Nc1nccnc1Cl
InChIInChI=1S/C12H9Cl2N3O/c1-7-2-3-8(13)6-9(7)12(18)17-11-10(14)15-4-5-16-11/h2-6H,1H3,(H,16,17,18)
InChIKeyHGIJNZMZOAHXIB-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide
CID 102989362
2-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
CID 102989369
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
2,4-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 836075
N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide
CID 102989237
5-chloro-N-hydroxy-2-methylbenzamide
CID 82883226
2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide
CID 102989374
N-(2-amino-5-chlorophenyl)-5-chloro-2-methylbenzamide
CID 82880207
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-2-methylbenzamide
CID 82885279
N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide
CID 102989137

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide?
The IUPAC name of 5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide (CID 102989278) is 5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)Nc1nccnc1Cl.
What is the InChIKey of 5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide?
The InChIKey is HGIJNZMZOAHXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c1-7-2-3-8(13)6-9(7)12(18)17-11-10(14)15-4-5-16-11/h2-6H,1H3,(H,16,17,18).
What are the key properties of 5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide?
5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide has a molecular weight of 282.13 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide is sourced from PubChem (CID 102989278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).