2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide

C16H15ClF3N3O — CID 118789475

IUPAC2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide
SMILESCC(Cc1cnccn1)N(C)C(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H15ClF3N3O/c1-10(7-12-9-21-5-6-22-12)23(2)15(24)13-8-11(16(18,19)20)3-4-14(13)17/h3-6,8-10H,7H2,1-2H3
InChIKeyJYRNHKKODZJBIL-UHFFFAOYSA-N
MW357.76 g/mol
LogP3.85
Rot. Bonds4

About 2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide

2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide (PubChem CID 118789475) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide
PubChem CID118789475
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC Name2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide
SMILESCC(Cc1cnccn1)N(C)C(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H15ClF3N3O/c1-10(7-12-9-21-5-6-22-12)23(2)15(24)13-8-11(16(18,19)20)3-4-14(13)17/h3-6,8-10H,7H2,1-2H3
InChIKeyJYRNHKKODZJBIL-UHFFFAOYSA-N
XLogP3.85
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide (CID 118789475) is 2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide is CC(Cc1cnccn1)N(C)C(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is JYRNHKKODZJBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c1-10(7-12-9-21-5-6-22-12)23(2)15(24)13-8-11(16(18,19)20)3-4-14(13)17/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide?
2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 357.76 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 118789475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).