N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide

C18H15F5N2O2 — CID 68947407

IUPACN-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide
SMILESO=C(NCc1cncc(C2CC2)c1)C(O)(c1ccc(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C18H15F5N2O2/c19-14-4-3-13(6-15(14)20)17(27,18(21,22)23)16(26)25-8-10-5-12(9-24-7-10)11-1-2-11/h3-7,9,11,27H,1-2,8H2,(H,25,26)
InChIKeyPEAKGCAUKQXRQL-UHFFFAOYSA-N
MW386.32 g/mol
LogP3.30
Rot. Bonds5

About N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide

N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 68947407) has the molecular formula C18H15F5N2O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID68947407
Molecular FormulaC18H15F5N2O2
Molecular Weight386.32 g/mol
Exact Mass386.11
IUPAC NameN-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide
SMILESO=C(NCc1cncc(C2CC2)c1)C(O)(c1ccc(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C18H15F5N2O2/c19-14-4-3-13(6-15(14)20)17(27,18(21,22)23)16(26)25-8-10-5-12(9-24-7-10)11-1-2-11/h3-7,9,11,27H,1-2,8H2,(H,25,26)
InChIKeyPEAKGCAUKQXRQL-UHFFFAOYSA-N
XLogP3.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(5-cyclopropyl-1-hydroxypyridin-1-ium-3-yl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide;(2R)-N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide;methane
CID 161105291
N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122246902
1-tert-butyl-3-[(5-cyclopropyl-3-pyridinyl)methyl]urea
CID 122162869
2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide
CID 122246847
2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxy-N-[(4-oxo-4a,8a-dihydro-3H-quinazolin-2-yl)methyl]propanamide
CID 143432270
2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide
CID 58960044
1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 122246918
(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide
CID 58960075
1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea
CID 122246912
2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide
CID 86671686
2,2,2-trifluoro-N-[(2-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide
CID 86671672
5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 161058919

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide (CID 68947407) is N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide is O=C(NCc1cncc(C2CC2)c1)C(O)(c1ccc(F)c(F)c1)C(F)(F)F.
What is the InChIKey of N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is PEAKGCAUKQXRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N2O2/c19-14-4-3-13(6-15(14)20)17(27,18(21,22)23)16(26)25-8-10-5-12(9-24-7-10)11-1-2-11/h3-7,9,11,27H,1-2,8H2,(H,25,26).
What are the key properties of N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide?
N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 386.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 68947407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).