(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide

C19H19F3N2O2 — CID 163938857

IUPAC(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1C[C@@H]1c1ccccc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H19F3N2O2/c1-12(17-8-7-14(10-23-17)26-11-19(20,21)22)24-18(25)16-9-15(16)13-5-3-2-4-6-13/h2-8,10,12,15-16H,9,11H2,1H3,(H,24,25)/t12-,15-,16?/m1/s1
InChIKeyRPFFDYGVARKYRZ-CEPMMTIFSA-N
MW364.37 g/mol
LogP4.00
Rot. Bonds6

About (2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide

(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 163938857) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is (2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
PubChem CID163938857
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1C[C@@H]1c1ccccc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H19F3N2O2/c1-12(17-8-7-14(10-23-17)26-11-19(20,21)22)24-18(25)16-9-15(16)13-5-3-2-4-6-13/h2-8,10,12,15-16H,9,11H2,1H3,(H,24,25)/t12-,15-,16?/m1/s1
InChIKeyRPFFDYGVARKYRZ-CEPMMTIFSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460797
trans-(1S,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460835
tert-butyl 2-[3-[(1S,2S)-2-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]phenoxy]acetate
CID 67291944
N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 78034984
cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146275063
4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290329
2-(4-phenoxyphenoxy)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290582
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
(E)-3-(1H-indol-3-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-2-enamide;trans-(1R,2R)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 160995036
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
CID 67290537
trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 146460843
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of (2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide (CID 163938857) is (2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for (2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide is C[C@@H](NC(=O)C1C[C@@H]1c1ccccc1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of (2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is RPFFDYGVARKYRZ-CEPMMTIFSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-12(17-8-7-14(10-23-17)26-11-19(20,21)22)24-18(25)16-9-15(16)13-5-3-2-4-6-13/h2-8,10,12,15-16H,9,11H2,1H3,(H,24,25)/t12-,15-,16?/m1/s1.
What are the key properties of (2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide?
(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163938857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).