2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide

C12H7ClF3N3O — CID 75508828

IUPAC2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnccn1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H7ClF3N3O/c13-9-5-7(12(14,15)16)1-2-8(9)11(20)19-10-6-17-3-4-18-10/h1-6H,(H,18,19,20)
InChIKeyGWGWRZUBUVTGDC-UHFFFAOYSA-N
MW301.66 g/mol
LogP3.40
Rot. Bonds2

About 2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide

2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 75508828) has the molecular formula C12H7ClF3N3O and a molecular weight of 301.66 g/mol. Its IUPAC name is 2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide
PubChem CID75508828
Molecular FormulaC12H7ClF3N3O
Molecular Weight301.66 g/mol
Exact Mass301.02
IUPAC Name2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnccn1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H7ClF3N3O/c13-9-5-7(12(14,15)16)1-2-8(9)11(20)19-10-6-17-3-4-18-10/h1-6H,(H,18,19,20)
InChIKeyGWGWRZUBUVTGDC-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.66
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
2-chloro-5-hydroxy-N-pyrazin-2-ylbenzamide
CID 106501440
N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide
CID 66464357
2-amino-4-chloro-N-pyrazin-2-ylbenzamide
CID 43616024
2-bromo-4-chloro-N-pyrazin-2-ylbenzamide
CID 104853699
N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;3-methylpyridine-4-carbonyl chloride
CID 160860559
3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 58683977
2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide
CID 15156845
4-hydroxy-N-pyrazin-2-ylbenzamide
CID 43422735
5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide
CID 175455416
2-bromo-N-pyrazin-2-ylbenzamide
CID 43409356
[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone
CID 102752335

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide (CID 75508828) is 2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide is O=C(Nc1cnccn1)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is GWGWRZUBUVTGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3O/c13-9-5-7(12(14,15)16)1-2-8(9)11(20)19-10-6-17-3-4-18-10/h1-6H,(H,18,19,20).
What are the key properties of 2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide?
2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 301.66 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 75508828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).