5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide

C14H13Cl2N3O2 — CID 103803146

IUPAC5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C14H13Cl2N3O2/c1-19(14(20)12-8-18-13(16)9-17-12)6-7-21-11-4-2-10(15)3-5-11/h2-5,8-9H,6-7H2,1H3
InChIKeyCGSUWEPPJHWWIC-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.93
Rot. Bonds5

About 5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide

5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide (PubChem CID 103803146) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
PubChem CID103803146
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C14H13Cl2N3O2/c1-19(14(20)12-8-18-13(16)9-17-12)6-7-21-11-4-2-10(15)3-5-11/h2-5,8-9H,6-7H2,1H3
InChIKeyCGSUWEPPJHWWIC-UHFFFAOYSA-N
XLogP2.93
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-chloro-N-methylpyrazine-2-carboxamide
CID 103803325
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60676105
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 61042256
2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952702
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 60718587
3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61114488
N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide
CID 112792732
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide (CID 103803146) is 5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is CGSUWEPPJHWWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-19(14(20)12-8-18-13(16)9-17-12)6-7-21-11-4-2-10(15)3-5-11/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide?
5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 326.18 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 103803146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).