N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C22H20F3N3O — CID 59673779

IUPACN-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCN(C)c1ccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)cc1
InChIInChI=1S/C22H20F3N3O/c1-28(2)19-9-3-15(4-10-19)14-27-21(29)17-7-5-16(6-8-17)20-13-18(11-12-26-20)22(23,24)25/h3-13H,14H2,1-2H3,(H,27,29)
InChIKeyWUGLXPLKKVZMLD-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.76
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59673779) has the molecular formula C22H20F3N3O and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59673779
Molecular FormulaC22H20F3N3O
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCN(C)c1ccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)cc1
InChIInChI=1S/C22H20F3N3O/c1-28(2)19-9-3-15(4-10-19)14-27-21(29)17-7-5-16(6-8-17)20-13-18(11-12-26-20)22(23,24)25/h3-13H,14H2,1-2H3,(H,27,29)
InChIKeyWUGLXPLKKVZMLD-UHFFFAOYSA-N
XLogP4.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 59913441
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673106
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-(2-methoxyethyl)-N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 119075124
4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 167934472
N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59672796
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673432
N-(2-hydroxyphenyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673564
4-(dimethylamino)-N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 59652547

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59673779) is N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is CN(C)c1ccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is WUGLXPLKKVZMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O/c1-28(2)19-9-3-15(4-10-19)14-27-21(29)17-7-5-16(6-8-17)20-13-18(11-12-26-20)22(23,24)25/h3-13H,14H2,1-2H3,(H,27,29).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 399.42 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59673779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).