N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide

C21H17ClF3N3O — CID 71628222

IUPACN-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C21H17ClF3N3O/c1-28(2)19-12-15(21(23,24)25)11-18(27-19)13-3-5-14(6-4-13)20(29)26-17-9-7-16(22)8-10-17/h3-12H,1-2H3,(H,26,29)
InChIKeyAIOQJBGBZBEWEW-UHFFFAOYSA-N
MW419.83 g/mol
LogP5.74
Rot. Bonds4

About N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide

N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 71628222) has the molecular formula C21H17ClF3N3O and a molecular weight of 419.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID71628222
Molecular FormulaC21H17ClF3N3O
Molecular Weight419.83 g/mol
Exact Mass419.10
IUPAC NameN-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C21H17ClF3N3O/c1-28(2)19-12-15(21(23,24)25)11-18(27-19)13-3-5-14(6-4-13)20(29)26-17-9-7-16(22)8-10-17/h3-12H,1-2H3,(H,26,29)
InChIKeyAIOQJBGBZBEWEW-UHFFFAOYSA-N
XLogP5.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.83
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71628225
(4-chlorophenyl) 4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoate
CID 71628229
2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]anilino]ethene-1,1,2-tricarbonitrile
CID 168608075
2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide
CID 71628646
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
CID 108748167
2,2,2-trichloro-N-[(E)-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-N-methylacetamide
CID 91654843
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4680949
1-(4-chlorobenzoyl)-3-(4-chlorophenyl)-1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]thiourea
CID 121237640
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 147118620
4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 2730887

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 71628222) is N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide is CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is AIOQJBGBZBEWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N3O/c1-28(2)19-12-15(21(23,24)25)11-18(27-19)13-3-5-14(6-4-13)20(29)26-17-9-7-16(22)8-10-17/h3-12H,1-2H3,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 419.83 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 71628222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).