4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide

C17H17ClF3N3O — CID 71628293

IUPAC4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCN(C)CCN(C(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H17ClF3N3O/c1-23(2)9-10-24(16(25)12-3-6-14(18)7-4-12)15-8-5-13(11-22-15)17(19,20)21/h3-8,11H,9-10H2,1-2H3
InChIKeyKPZVXKUQBAEFQM-UHFFFAOYSA-N
MW371.79 g/mol
LogP3.96
Rot. Bonds5

About 4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide

4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 71628293) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID71628293
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC Name4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCN(C)CCN(C(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H17ClF3N3O/c1-23(2)9-10-24(16(25)12-3-6-14(18)7-4-12)15-8-5-13(11-22-15)17(19,20)21/h3-8,11H,9-10H2,1-2H3
InChIKeyKPZVXKUQBAEFQM-UHFFFAOYSA-N
XLogP3.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide (CID 71628293) is 4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide is CN(C)CCN(C(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is KPZVXKUQBAEFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-23(2)9-10-24(16(25)12-3-6-14(18)7-4-12)15-8-5-13(11-22-15)17(19,20)21/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 371.79 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 71628293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).