N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide

C15H12ClF3N4O2 — CID 2560435

IUPACN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cnccn1
InChIInChI=1S/C15H12ClF3N4O2/c1-23(14(25)12-7-20-4-5-21-12)8-13(24)22-9-2-3-11(16)10(6-9)15(17,18)19/h2-7H,8H2,1H3,(H,22,24)
InChIKeyVRKBKDUYBZGZOA-UHFFFAOYSA-N
MW372.73 g/mol
LogP2.86
Rot. Bonds4

About N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide (PubChem CID 2560435) has the molecular formula C15H12ClF3N4O2 and a molecular weight of 372.73 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide
PubChem CID2560435
Molecular FormulaC15H12ClF3N4O2
Molecular Weight372.73 g/mol
Exact Mass372.06
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cnccn1
InChIInChI=1S/C15H12ClF3N4O2/c1-23(14(25)12-7-20-4-5-21-12)8-13(24)22-9-2-3-11(16)10(6-9)15(17,18)19/h2-7H,8H2,1H3,(H,22,24)
InChIKeyVRKBKDUYBZGZOA-UHFFFAOYSA-N
XLogP2.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Diaryl-pyrazine-2-amide derivative, 7e
CID 10310004
N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide
CID 6498584
N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 470912
N-(3-methylphenyl)pyrazine-2-carboxamide
CID 743190
N-(4-chloro-3-(trifluoromethyl)phenyl)picolinamide
CID 8403638
N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide
CID 1245514
N-(5-fluoro-2-methylphenyl)pyrazine-2-carboxamide
CID 1459727
N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 1459735
N-(2-{[(3-chlorophenyl)carbonyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498557
N-(3-{[(2-chlorophenyl)carbonyl]amino}propyl)pyrazine-2-carboxamide
CID 6498607
N-[2-(4-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 18074426
5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide
CID 25163734

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide (CID 2560435) is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cnccn1.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is VRKBKDUYBZGZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4O2/c1-23(14(25)12-7-20-4-5-21-12)8-13(24)22-9-2-3-11(16)10(6-9)15(17,18)19/h2-7H,8H2,1H3,(H,22,24).
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 372.73 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 2560435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).