N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide

C13H12ClN3O — CID 113228993

IUPACN-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nccnc2Cl)cc1
InChIInChI=1S/C13H12ClN3O/c1-9-2-4-10(5-3-9)8-11(18)17-13-12(14)15-6-7-16-13/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeySQLHSMGFTVGYRM-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.62
Rot. Bonds3

About N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide

N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide (PubChem CID 113228993) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide
PubChem CID113228993
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nccnc2Cl)cc1
InChIInChI=1S/C13H12ClN3O/c1-9-2-4-10(5-3-9)8-11(18)17-13-12(14)15-6-7-16-13/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeySQLHSMGFTVGYRM-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 103892864
N-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697
N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide
CID 102989201
2-(4-methylphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756851
2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide
CID 102989362
2-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
CID 102989369
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
2-(4-chlorophenyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100533988
N-(3-chloropyrazin-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103558724
N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide
CID 102989622
5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide
CID 102989278

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide (CID 113228993) is N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2nccnc2Cl)cc1.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is SQLHSMGFTVGYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-9-2-4-10(5-3-9)8-11(18)17-13-12(14)15-6-7-16-13/h2-7H,8H2,1H3,(H,16,17,18).
What are the key properties of N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide?
N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 261.71 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113228993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).