N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C19H18F6N2O2 — CID 87341437

IUPACN-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H18F6N2O2/c1-12(16-8-7-15(10-26-16)29-11-18(20,21)22)27-17(28)9-4-13-2-5-14(6-3-13)19(23,24)25/h2-3,5-8,10,12H,4,9,11H2,1H3,(H,27,28)/t12-/m1/s1
InChIKeyIIADQEHNAMUSMY-GFCCVEGCSA-N
MW420.35 g/mol
LogP4.85
Rot. Bonds7

About N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 87341437) has the molecular formula C19H18F6N2O2 and a molecular weight of 420.35 g/mol. Its IUPAC name is N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID87341437
Molecular FormulaC19H18F6N2O2
Molecular Weight420.35 g/mol
Exact Mass420.13
IUPAC NameN-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H18F6N2O2/c1-12(16-8-7-15(10-26-16)29-11-18(20,21)22)27-17(28)9-4-13-2-5-14(6-3-13)19(23,24)25/h2-3,5-8,10,12H,4,9,11H2,1H3,(H,27,28)/t12-/m1/s1
InChIKeyIIADQEHNAMUSMY-GFCCVEGCSA-N
XLogP4.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
[(1S)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]-1-[4-(trifluoromethyl)phenyl]propyl]carbamic acid
CID 118286635
3-(4-chlorophenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propanamide
CID 67290991
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 70311806
2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 74819774
2-(3,5-dimethylphenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290853
2-(6-chloro-5-fluoro-3-pyridinyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 162543824
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
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 87342724
4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
CID 67290823

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 87341437) is N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide is C[C@@H](NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is IIADQEHNAMUSMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18F6N2O2/c1-12(16-8-7-15(10-26-16)29-11-18(20,21)22)27-17(28)9-4-13-2-5-14(6-3-13)19(23,24)25/h2-3,5-8,10,12H,4,9,11H2,1H3,(H,27,28)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 420.35 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 87341437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).