5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide

C18H14Cl2N4O — CID 109282039

IUPAC5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C18H14Cl2N4O/c19-13-7-5-12(6-8-13)9-23-18(25)16-10-22-17(11-21-16)24-15-4-2-1-3-14(15)20/h1-8,10-11H,9H2,(H,22,24)(H,23,25)
InChIKeyDLRQQDYZVKPLKS-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.46
Rot. Bonds5

About 5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide

5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109282039) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID109282039
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C18H14Cl2N4O/c19-13-7-5-12(6-8-13)9-23-18(25)16-10-22-17(11-21-16)24-15-4-2-1-3-14(15)20/h1-8,10-11H,9H2,(H,22,24)(H,23,25)
InChIKeyDLRQQDYZVKPLKS-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283625
5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284282
5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109291594
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109285781
N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109282066
5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282005
N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109282055
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide
CID 109282031
5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109292659
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 109292662

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide (CID 109282039) is 5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cnc(Nc2ccccc2Cl)cn1.
What is the InChIKey of 5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is DLRQQDYZVKPLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-13-7-5-12(6-8-13)9-23-18(25)16-10-22-17(11-21-16)24-15-4-2-1-3-14(15)20/h1-8,10-11H,9H2,(H,22,24)(H,23,25).
What are the key properties of 5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide?
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109282039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).