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

C18H18ClF3N4O — CID 109274775

IUPAC5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(Nc2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C18H18ClF3N4O/c19-13-7-6-11(18(20,21)22)8-14(13)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)
InChIKeyYLBUTMYEUPKGCV-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.95
Rot. Bonds4

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

5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide (PubChem CID 109274775) has the molecular formula C18H18ClF3N4O and a molecular weight of 398.82 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
PubChem CID109274775
Molecular FormulaC18H18ClF3N4O
Molecular Weight398.82 g/mol
Exact Mass398.11
IUPAC Name5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(Nc2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C18H18ClF3N4O/c19-13-7-6-11(18(20,21)22)8-14(13)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)
InChIKeyYLBUTMYEUPKGCV-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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Related Compounds

6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341522
5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
CID 109274799
N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109274017
[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288746
N-cyclohexyl-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109274738
5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide
CID 109287489
5-(5-chloro-2-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271670
N-cyclopentyl-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109273966
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271673
N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109342121
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-cyclohexylthiourea
CID 2731674
N-cyclopropyl-5-(2,6-dichloroanilino)pyrazine-2-carboxamide
CID 109271734

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide (CID 109274775) is 5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide is O=C(NC1CCCCC1)c1cnc(Nc2cc(C(F)(F)F)ccc2Cl)cn1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide?
The InChIKey is YLBUTMYEUPKGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O/c19-13-7-6-11(18(20,21)22)8-14(13)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-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide?
5-[2-chloro-5-(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-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide is sourced from PubChem (CID 109274775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).