3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide

C18H17F3N2O — CID 95246047

IUPAC3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESO=C(CCc1ccccn1)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)13-5-3-4-12(10-13)15-11-16(15)23-17(24)8-7-14-6-1-2-9-22-14/h1-6,9-10,15-16H,7-8,11H2,(H,23,24)/t15-,16+/m0/s1
InChIKeyLKZIFRMMZHBCGB-JKSUJKDBSA-N
MW334.34 g/mol
LogP3.71
Rot. Bonds5

About 3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide

3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide (PubChem CID 95246047) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide.

Molecular Properties

Compound Name3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide
PubChem CID95246047
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESO=C(CCc1ccccn1)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)13-5-3-4-12(10-13)15-11-16(15)23-17(24)8-7-14-6-1-2-9-22-14/h1-6,9-10,15-16H,7-8,11H2,(H,23,24)/t15-,16+/m0/s1
InChIKeyLKZIFRMMZHBCGB-JKSUJKDBSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The IUPAC name of 3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide (CID 95246047) is 3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide.
What is the SMILES notation for 3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The canonical SMILES for 3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide is O=C(CCc1ccccn1)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The InChIKey is LKZIFRMMZHBCGB-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-18(20,21)13-5-3-4-12(10-13)15-11-16(15)23-17(24)8-7-14-6-1-2-9-22-14/h1-6,9-10,15-16H,7-8,11H2,(H,23,24)/t15-,16+/m0/s1.
What are the key properties of 3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide has a molecular weight of 334.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide is sourced from PubChem (CID 95246047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).