N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide

C12H9BrClN3O2 — CID 113265025

IUPACN-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Cl)cn2)cc1Br
InChIInChI=1S/C12H9BrClN3O2/c1-19-10-3-2-7(4-8(10)13)17-12(18)9-5-16-11(14)6-15-9/h2-6H,1H3,(H,17,18)
InChIKeyVZHGBFPTOZQPRV-UHFFFAOYSA-N
MW342.58 g/mol
LogP3.15
Rot. Bonds3

About N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide

N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide (PubChem CID 113265025) has the molecular formula C12H9BrClN3O2 and a molecular weight of 342.58 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide
PubChem CID113265025
Molecular FormulaC12H9BrClN3O2
Molecular Weight342.58 g/mol
Exact Mass340.96
IUPAC NameN-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Cl)cn2)cc1Br
InChIInChI=1S/C12H9BrClN3O2/c1-19-10-3-2-7(4-8(10)13)17-12(18)9-5-16-11(14)6-15-9/h2-6H,1H3,(H,17,18)
InChIKeyVZHGBFPTOZQPRV-UHFFFAOYSA-N
XLogP3.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641623
N-(3-bromo-4-methoxyphenyl)carbamoyl chloride
CID 115194346
5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 63998822
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 103817028
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 103817189
5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide
CID 107623030
2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107371536

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide (CID 113265025) is N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(Cl)cn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide?
The InChIKey is VZHGBFPTOZQPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O2/c1-19-10-3-2-7(4-8(10)13)17-12(18)9-5-16-11(14)6-15-9/h2-6H,1H3,(H,17,18).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide?
N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide has a molecular weight of 342.58 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide is sourced from PubChem (CID 113265025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).