5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide

C19H15ClF2N4O — CID 109284289

IUPAC5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cnc(Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C19H15ClF2N4O/c20-14-9-13(5-6-16(14)22)26-18-11-24-17(10-25-18)19(27)23-8-7-12-3-1-2-4-15(12)21/h1-6,9-11H,7-8H2,(H,23,27)(H,25,26)
InChIKeyHODAHBFXSNODQJ-UHFFFAOYSA-N
MW388.81 g/mol
LogP4.12
Rot. Bonds6

About 5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide

5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109284289) has the molecular formula C19H15ClF2N4O and a molecular weight of 388.81 g/mol. Its IUPAC name is 5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109284289
Molecular FormulaC19H15ClF2N4O
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC Name5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cnc(Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C19H15ClF2N4O/c20-14-9-13(5-6-16(14)22)26-18-11-24-17(10-25-18)19(27)23-8-7-12-3-1-2-4-15(12)21/h1-6,9-11H,7-8H2,(H,23,27)(H,25,26)
InChIKeyHODAHBFXSNODQJ-UHFFFAOYSA-N
XLogP4.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284281
5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281399
5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284282
5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283887
5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284313
5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191800
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271673
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284497
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109284290
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 109292662
5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287011

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide (CID 109284289) is 5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide is O=C(NCCc1ccccc1F)c1cnc(Nc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is HODAHBFXSNODQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O/c20-14-9-13(5-6-16(14)22)26-18-11-24-17(10-25-18)19(27)23-8-7-12-3-1-2-4-15(12)21/h1-6,9-11H,7-8H2,(H,23,27)(H,25,26).
What are the key properties of 5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide?
5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 388.81 g/mol, XLogP of 4.12, 6 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-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109284289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).