2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

C19H19ClF3N3O — CID 37442281

IUPAC2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H19ClF3N3O/c1-25-8-10-26(11-9-25)17-7-6-13(19(21,22)23)12-16(17)24-18(27)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3,(H,24,27)
InChIKeyYTLAEOWNJMXXPD-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.36
Rot. Bonds3

About 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 37442281) has the molecular formula C19H19ClF3N3O and a molecular weight of 397.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID37442281
Molecular FormulaC19H19ClF3N3O
Molecular Weight397.83 g/mol
Exact Mass397.12
IUPAC Name2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H19ClF3N3O/c1-25-8-10-26(11-9-25)17-7-6-13(19(21,22)23)12-16(17)24-18(27)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3,(H,24,27)
InChIKeyYTLAEOWNJMXXPD-UHFFFAOYSA-N
XLogP4.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide (CID 37442281) is 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide is CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YTLAEOWNJMXXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O/c1-25-8-10-26(11-9-25)17-7-6-13(19(21,22)23)12-16(17)24-18(27)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3,(H,24,27).
What are the key properties of 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 397.83 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 37442281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).