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

C21H16ClF3N2O2 — CID 1486047

IUPACN-[(2-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C21H16ClF3N2O2/c22-18-4-2-1-3-16(18)11-26-20(29)15-7-5-14(6-8-15)12-27-13-17(21(23,24)25)9-10-19(27)28/h1-10,13H,11-12H2,(H,26,29)
InChIKeyVBYZSRYTFUJRHY-UHFFFAOYSA-N
MW420.82 g/mol
LogP4.50
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide (PubChem CID 1486047) has the molecular formula C21H16ClF3N2O2 and a molecular weight of 420.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
PubChem CID1486047
Molecular FormulaC21H16ClF3N2O2
Molecular Weight420.82 g/mol
Exact Mass420.09
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C21H16ClF3N2O2/c22-18-4-2-1-3-16(18)11-26-20(29)15-7-5-14(6-8-15)12-27-13-17(21(23,24)25)9-10-19(27)28/h1-10,13H,11-12H2,(H,26,29)
InChIKeyVBYZSRYTFUJRHY-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide (CID 1486047) is N-[(2-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide is O=C(NCc1ccccc1Cl)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The InChIKey is VBYZSRYTFUJRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O2/c22-18-4-2-1-3-16(18)11-26-20(29)15-7-5-14(6-8-15)12-27-13-17(21(23,24)25)9-10-19(27)28/h1-10,13H,11-12H2,(H,26,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
N-[(2-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-[(2-chlorophenyl)methyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide is sourced from PubChem (CID 1486047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).