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5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide

C18H18ClF3N4O — CID 109274799

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(Nc2ccc(Cl)cc2C(F)(F)F)cn1
InChIInChI=1S/C18H18ClF3N4O/c19-11-6-7-14(13(8-11)18(20,21)22)26-16-10-23-15(9-24-16)17(27)25-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,24,26)(H,25,27)
InChIKeyNZXJZQLEVKRIEA-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.95
Rot. Bonds4

About 5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide

5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide (PubChem CID 109274799) has the molecular formula C18H18ClF3N4O and a molecular weight of 398.82 g/mol. Its IUPAC name is 5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
PubChem CID109274799
Molecular FormulaC18H18ClF3N4O
Molecular Weight398.82 g/mol
Exact Mass398.11
IUPAC Name5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(Nc2ccc(Cl)cc2C(F)(F)F)cn1
InChIInChI=1S/C18H18ClF3N4O/c19-11-6-7-14(13(8-11)18(20,21)22)26-16-10-23-15(9-24-16)17(27)25-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,24,26)(H,25,27)
InChIKeyNZXJZQLEVKRIEA-UHFFFAOYSA-N
XLogP4.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide?
The IUPAC name of 5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide (CID 109274799) is 5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide?
The canonical SMILES for 5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide is O=C(NC1CCCCC1)c1cnc(Nc2ccc(Cl)cc2C(F)(F)F)cn1.
What is the InChIKey of 5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide?
The InChIKey is NZXJZQLEVKRIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O/c19-11-6-7-14(13(8-11)18(20,21)22)26-16-10-23-15(9-24-16)17(27)25-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,24,26)(H,25,27).
What are the key properties of 5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide?
5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide has a molecular weight of 398.82 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide is sourced from PubChem (CID 109274799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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