5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide

C18H14ClFN4O — CID 109289662

IUPAC5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C18H14ClFN4O/c1-11-4-2-3-5-15(11)24-18(25)16-9-22-17(10-21-16)23-12-6-7-14(20)13(19)8-12/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyZHGCHZJJBVWGRV-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.57
Rot. Bonds4

About 5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide

5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109289662) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
PubChem CID109289662
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C18H14ClFN4O/c1-11-4-2-3-5-15(11)24-18(25)16-9-22-17(10-21-16)23-12-6-7-14(20)13(19)8-12/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyZHGCHZJJBVWGRV-UHFFFAOYSA-N
XLogP4.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
CID 109293026
5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289712
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 109292662
5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
2-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265311
5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109292659
methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109289688
N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109292255
N-(4-chloro-2-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290136
N-(3,4-dichlorophenyl)-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109292450
N-(2,5-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294588

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide (CID 109289662) is 5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide is Cc1ccccc1NC(=O)c1cnc(Nc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is ZHGCHZJJBVWGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-11-4-2-3-5-15(11)24-18(25)16-9-22-17(10-21-16)23-12-6-7-14(20)13(19)8-12/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).