3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide

C23H18F7N3O — CID 10480513

IUPAC3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide
SMILESCC(Nc1ncccc1NC(=O)CC(F)(F)F)c1ccc(-c2cccc(F)c2C(F)(F)F)cc1
InChIInChI=1S/C23H18F7N3O/c1-13(32-21-18(6-3-11-31-21)33-19(34)12-22(25,26)27)14-7-9-15(10-8-14)16-4-2-5-17(24)20(16)23(28,29)30/h2-11,13H,12H2,1H3,(H,31,32)(H,33,34)
InChIKeyNSJAHPPDXRYTNV-UHFFFAOYSA-N
MW485.40 g/mol
LogP6.97
Rot. Bonds6

About 3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide

3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide (PubChem CID 10480513) has the molecular formula C23H18F7N3O and a molecular weight of 485.40 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide
PubChem CID10480513
Molecular FormulaC23H18F7N3O
Molecular Weight485.40 g/mol
Exact Mass485.13
IUPAC Name3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide
SMILESCC(Nc1ncccc1NC(=O)CC(F)(F)F)c1ccc(-c2cccc(F)c2C(F)(F)F)cc1
InChIInChI=1S/C23H18F7N3O/c1-13(32-21-18(6-3-11-31-21)33-19(34)12-22(25,26)27)14-7-9-15(10-8-14)16-4-2-5-17(24)20(16)23(28,29)30/h2-11,13H,12H2,1H3,(H,31,32)(H,33,34)
InChIKeyNSJAHPPDXRYTNV-UHFFFAOYSA-N
XLogP6.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.40
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[4-(2-chloro-3-fluorophenyl)phenyl]ethylamino]-3-pyridinyl]-3,3,3-trifluoropropanamide
CID 10366575
N-[4-chloro-2-[1-[4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-3,3,3-trifluoropropanamide
CID 10075786
N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide
CID 10050911
N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide
CID 11259064
N-cyclobutyl-2-fluoro-6-[4-[(1R)-1-[[1-(3,3,3-trifluoropropanoylamino)cyclopropanecarbonyl]amino]ethyl]phenyl]benzamide
CID 10128351
1-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-3-[(2,2,2-trifluoroacetyl)amino]urea
CID 89039157
1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene
CID 119018049
2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide
CID 139535670
3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide
CID 46175882
N-(3-fluoro-2-pyridinyl)propanamide
CID 130249129
1-ethyl-3-[1-[2-fluoro-4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethyl]-1-[(2-methylpyrimidin-5-yl)methylamino]urea
CID 91606576
4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol
CID 43689985

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide (CID 10480513) is 3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide is CC(Nc1ncccc1NC(=O)CC(F)(F)F)c1ccc(-c2cccc(F)c2C(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide?
The InChIKey is NSJAHPPDXRYTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F7N3O/c1-13(32-21-18(6-3-11-31-21)33-19(34)12-22(25,26)27)14-7-9-15(10-8-14)16-4-2-5-17(24)20(16)23(28,29)30/h2-11,13H,12H2,1H3,(H,31,32)(H,33,34).
What are the key properties of 3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide?
3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide has a molecular weight of 485.40 g/mol, XLogP of 6.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide is sourced from PubChem (CID 10480513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).