N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide

C18H13Cl2FN4O — CID 109293026

IUPACN-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cnc(C(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C18H13Cl2FN4O/c1-10-2-3-11(19)6-15(10)25-17-9-22-16(8-23-17)18(26)24-12-4-5-14(21)13(20)7-12/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeyVVRMOYOVLKKTNJ-UHFFFAOYSA-N
MW391.23 g/mol
LogP5.23
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide (PubChem CID 109293026) has the molecular formula C18H13Cl2FN4O and a molecular weight of 391.23 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
PubChem CID109293026
Molecular FormulaC18H13Cl2FN4O
Molecular Weight391.23 g/mol
Exact Mass390.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cnc(C(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C18H13Cl2FN4O/c1-10-2-3-11(19)6-15(10)25-17-9-22-16(8-23-17)18(26)24-12-4-5-14(21)13(20)7-12/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeyVVRMOYOVLKKTNJ-UHFFFAOYSA-N
XLogP5.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.23
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109293212
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 109292662
5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293037
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293034
N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109293155
5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109292659
5-(5-chloro-2-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271670
N-(3,4-dichlorophenyl)-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109292450
5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide (CID 109293026) is N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide is Cc1ccc(Cl)cc1Nc1cnc(C(=O)Nc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide?
The InChIKey is VVRMOYOVLKKTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN4O/c1-10-2-3-11(19)6-15(10)25-17-9-22-16(8-23-17)18(26)24-12-4-5-14(21)13(20)7-12/h2-9H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide has a molecular weight of 391.23 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109293026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).