N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C22H19F3N2O2 — CID 46550378

IUPACN-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C22H19F3N2O2/c23-22(24,25)15-29-14-16-9-11-18(12-10-16)21(28)27-20(17-6-2-1-3-7-17)19-8-4-5-13-26-19/h1-13,20H,14-15H2,(H,27,28)
InChIKeyNBUVFYKTUURZHU-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.68
Rot. Bonds7

About N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 46550378) has the molecular formula C22H19F3N2O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID46550378
Molecular FormulaC22H19F3N2O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC NameN-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C22H19F3N2O2/c23-22(24,25)15-29-14-16-9-11-18(12-10-16)21(28)27-20(17-6-2-1-3-7-17)19-8-4-5-13-26-19/h1-13,20H,14-15H2,(H,27,28)
InChIKeyNBUVFYKTUURZHU-UHFFFAOYSA-N
XLogP4.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 30095392
4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 134025916
N-[phenyl(pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44765282
N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55502593
6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 71144853
4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 86851550
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 95568756
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55484171
3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51939981

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 46550378) is N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(NC(c1ccccc1)c1ccccn1)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is NBUVFYKTUURZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O2/c23-22(24,25)15-29-14-16-9-11-18(12-10-16)21(28)27-20(17-6-2-1-3-7-17)19-8-4-5-13-26-19/h1-13,20H,14-15H2,(H,27,28).
What are the key properties of N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 400.40 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 46550378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).