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

C18H13Cl2FN4O — CID 109281399

IUPAC5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cnc(Nc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C18H13Cl2FN4O/c19-13-6-5-12(7-14(13)20)25-17-10-22-16(9-23-17)18(26)24-8-11-3-1-2-4-15(11)21/h1-7,9-10H,8H2,(H,23,25)(H,24,26)
InChIKeyJBVXHNUSDPYEGM-UHFFFAOYSA-N
MW391.23 g/mol
LogP4.60
Rot. Bonds5

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

5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109281399) has the molecular formula C18H13Cl2FN4O and a molecular weight of 391.23 g/mol. Its IUPAC name is 5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID109281399
Molecular FormulaC18H13Cl2FN4O
Molecular Weight391.23 g/mol
Exact Mass390.05
IUPAC Name5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cnc(Nc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C18H13Cl2FN4O/c19-13-6-5-12(7-14(13)20)25-17-10-22-16(9-23-17)18(26)24-8-11-3-1-2-4-15(11)21/h1-7,9-10H,8H2,(H,23,25)(H,24,26)
InChIKeyJBVXHNUSDPYEGM-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

5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284289
5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283887
5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280085
N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109281332
N-(3,4-dichlorophenyl)-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109292450
6-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348203
5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282276
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564
5-(4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284281
N-(3,4-dichlorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189570
6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348199
5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284282

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide (CID 109281399) is 5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide is O=C(NCc1ccccc1F)c1cnc(Nc2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is JBVXHNUSDPYEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN4O/c19-13-6-5-12(7-14(13)20)25-17-10-22-16(9-23-17)18(26)24-8-11-3-1-2-4-15(11)21/h1-7,9-10H,8H2,(H,23,25)(H,24,26).
What are the key properties of 5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide?
5-(3,4-dichloroanilino)-N-[(2-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-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109281399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).