4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide

C22H19F3N2O3 — CID 67290329

IUPAC4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C22H19F3N2O3/c1-15(20-12-11-19(13-26-20)29-14-22(23,24)25)27-21(28)16-7-9-18(10-8-16)30-17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H,27,28)/t15-/m1/s1
InChIKeyDSFMPFPRXUBDMN-OAHLLOKOSA-N
MW416.40 g/mol
LogP5.31
Rot. Bonds7

About 4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide

4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide (PubChem CID 67290329) has the molecular formula C22H19F3N2O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is 4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
PubChem CID67290329
Molecular FormulaC22H19F3N2O3
Molecular Weight416.40 g/mol
Exact Mass416.13
IUPAC Name4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C22H19F3N2O3/c1-15(20-12-11-19(13-26-20)29-14-22(23,24)25)27-21(28)16-7-9-18(10-8-16)30-17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H,27,28)/t15-/m1/s1
InChIKeyDSFMPFPRXUBDMN-OAHLLOKOSA-N
XLogP5.31
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
2-(4-phenoxyphenoxy)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290582
3-pyridin-2-yloxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290691
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
CID 67290537
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460797
(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 163938857
2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide
CID 67289119
2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 118497834
2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 87342561
[1-oxo-1-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]-3-[2-(trifluoromethoxy)phenyl]propan-2-yl]carbamic acid
CID 87457661

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide?
The IUPAC name of 4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide (CID 67290329) is 4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide?
The canonical SMILES for 4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide is C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide?
The InChIKey is DSFMPFPRXUBDMN-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19F3N2O3/c1-15(20-12-11-19(13-26-20)29-14-22(23,24)25)27-21(28)16-7-9-18(10-8-16)30-17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H,27,28)/t15-/m1/s1.
What are the key properties of 4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide?
4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide has a molecular weight of 416.40 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 67290329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).