N-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide

C21H16ClF3N2O2 — CID 1486031

IUPACN-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C21H16ClF3N2O2/c22-18-8-3-14(4-9-18)11-26-20(29)16-5-1-15(2-6-16)12-27-13-17(21(23,24)25)7-10-19(27)28/h1-10,13H,11-12H2,(H,26,29)
InChIKeyZTWZVHDVXAIRRS-UHFFFAOYSA-N
MW420.82 g/mol
LogP4.50
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide

N-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide (PubChem CID 1486031) has the molecular formula C21H16ClF3N2O2 and a molecular weight of 420.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
PubChem CID1486031
Molecular FormulaC21H16ClF3N2O2
Molecular Weight420.82 g/mol
Exact Mass420.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C21H16ClF3N2O2/c22-18-8-3-14(4-9-18)11-26-20(29)16-5-1-15(2-6-16)12-27-13-17(21(23,24)25)7-10-19(27)28/h1-10,13H,11-12H2,(H,26,29)
InChIKeyZTWZVHDVXAIRRS-UHFFFAOYSA-N
XLogP4.50
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.82
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-chloro-N-cyclohexylbenzamide
CID 24752728
4-Chloro-N-phenethylbenzamide
CID 306479
N-benzyl-4-chlorobenzamide
CID 346668
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
Benzamide derivative 11
CID 41306362
4'-Chloro-3-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 57890345
4'-Chloro-2-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 60130264
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764
N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide
CID 2379578
4-Chloro-N-cyclohexylbenzamide
CID 225461

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide (CID 1486031) is N-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide is O=C(NCc1ccc(Cl)cc1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The InChIKey is ZTWZVHDVXAIRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O2/c22-18-8-3-14(4-9-18)11-26-20(29)16-5-1-15(2-6-16)12-27-13-17(21(23,24)25)7-10-19(27)28/h1-10,13H,11-12H2,(H,26,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
N-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide has a molecular weight of 420.82 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide is sourced from PubChem (CID 1486031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).