5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

C18H13Cl2FN4O — CID 109281654

IUPAC5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc(Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C18H13Cl2FN4O/c19-12-5-13(20)7-15(6-12)25-17-10-22-16(9-23-17)18(26)24-8-11-1-3-14(21)4-2-11/h1-7,9-10H,8H2,(H,23,25)(H,24,26)
InChIKeyDFJCPZOEURQMAH-UHFFFAOYSA-N
MW391.23 g/mol
LogP4.60
Rot. Bonds5

About 5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109281654) has the molecular formula C18H13Cl2FN4O and a molecular weight of 391.23 g/mol. Its IUPAC name is 5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID109281654
Molecular FormulaC18H13Cl2FN4O
Molecular Weight391.23 g/mol
Exact Mass390.05
IUPAC Name5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc(Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C18H13Cl2FN4O/c19-12-5-13(20)7-15(6-12)25-17-10-22-16(9-23-17)18(26)24-8-11-1-3-14(21)4-2-11/h1-7,9-10H,8H2,(H,23,25)(H,24,26)
InChIKeyDFJCPZOEURQMAH-UHFFFAOYSA-N
XLogP4.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109282066
5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281597
5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281641
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284497
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272170
N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109279773
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
methyl 2-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109281638
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (CID 109281654) is 5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cnc(Nc2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of 5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is DFJCPZOEURQMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN4O/c19-12-5-13(20)7-15(6-12)25-17-10-22-16(9-23-17)18(26)24-8-11-1-3-14(21)4-2-11/h1-7,9-10H,8H2,(H,23,25)(H,24,26).
What are the key properties of 5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 391.23 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109281654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).