N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide

C18H16F6N2O4 — CID 87342477

IUPACN-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
SMILESC[C@@H](NC(=O)COc1cccc(OC(F)(F)F)c1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H16F6N2O4/c1-11(15-6-5-14(8-25-15)29-10-17(19,20)21)26-16(27)9-28-12-3-2-4-13(7-12)30-18(22,23)24/h2-8,11H,9-10H2,1H3,(H,26,27)/t11-/m1/s1
InChIKeyBYVRNXNUSXGKIB-LLVKDONJSA-N
MW438.32 g/mol
LogP4.18
Rot. Bonds8

About N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide

N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide (PubChem CID 87342477) has the molecular formula C18H16F6N2O4 and a molecular weight of 438.32 g/mol. Its IUPAC name is N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
PubChem CID87342477
Molecular FormulaC18H16F6N2O4
Molecular Weight438.32 g/mol
Exact Mass438.10
IUPAC NameN-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
SMILESC[C@@H](NC(=O)COc1cccc(OC(F)(F)F)c1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H16F6N2O4/c1-11(15-6-5-14(8-25-15)29-10-17(19,20)21)26-16(27)9-28-12-3-2-4-13(7-12)30-18(22,23)24/h2-8,11H,9-10H2,1H3,(H,26,27)/t11-/m1/s1
InChIKeyBYVRNXNUSXGKIB-LLVKDONJSA-N
XLogP4.18
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenoxyphenoxy)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290582
2-(3,5-dimethylphenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290853
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-[2-(trifluoromethoxy)phenoxy]acetamide
CID 67290555
4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290329
2-(6-chloro-5-fluoro-3-pyridinyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 162543824
2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 87342561
3-(4-chlorophenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propanamide
CID 67290991
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 87341437
2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 70311806
tert-butyl 2-[3-[(1S,2S)-2-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]phenoxy]acetate
CID 67291944

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide (CID 87342477) is N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide is C[C@@H](NC(=O)COc1cccc(OC(F)(F)F)c1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?
The InChIKey is BYVRNXNUSXGKIB-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16F6N2O4/c1-11(15-6-5-14(8-25-15)29-10-17(19,20)21)26-16(27)9-28-12-3-2-4-13(7-12)30-18(22,23)24/h2-8,11H,9-10H2,1H3,(H,26,27)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide has a molecular weight of 438.32 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide is sourced from PubChem (CID 87342477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).