N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide

C12H8Cl3N3O — CID 115599301

IUPACN-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1cncc(Cl)n1
InChIInChI=1S/C12H8Cl3N3O/c13-8-2-1-7(3-9(8)14)4-12(19)18-11-6-16-5-10(15)17-11/h1-3,5-6H,4H2,(H,17,18,19)
InChIKeyIVKLNFVBABWFQX-UHFFFAOYSA-N
MW316.58 g/mol
LogP3.62
Rot. Bonds3

About N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide

N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide (PubChem CID 115599301) has the molecular formula C12H8Cl3N3O and a molecular weight of 316.58 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide
PubChem CID115599301
Molecular FormulaC12H8Cl3N3O
Molecular Weight316.58 g/mol
Exact Mass314.97
IUPAC NameN-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1cncc(Cl)n1
InChIInChI=1S/C12H8Cl3N3O/c13-8-2-1-7(3-9(8)14)4-12(19)18-11-6-16-5-10(15)17-11/h1-3,5-6H,4H2,(H,17,18,19)
InChIKeyIVKLNFVBABWFQX-UHFFFAOYSA-N
XLogP3.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide
CID 156906657
5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 63154381
N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527
2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691199
[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid
CID 146586124
N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide
CID 102979634
2-(3,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2555577
N-(2-aminophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045267
N-(2-amino-4-chlorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045441
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide (CID 115599301) is N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cncc(Cl)n1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is IVKLNFVBABWFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N3O/c13-8-2-1-7(3-9(8)14)4-12(19)18-11-6-16-5-10(15)17-11/h1-3,5-6H,4H2,(H,17,18,19).
What are the key properties of N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide?
N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 316.58 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 115599301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).