2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide

C18H18F4N2O2 — CID 47007628

IUPAC2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)Cc1cccc(F)c1
InChIInChI=1S/C18H18F4N2O2/c1-12(24(2)11-13-4-3-5-14(19)10-13)17(25)23-15-6-8-16(9-7-15)26-18(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,25)
InChIKeyLXUJTQDPJITEBM-UHFFFAOYSA-N
MW370.35 g/mol
LogP4.18
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide

2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 47007628) has the molecular formula C18H18F4N2O2 and a molecular weight of 370.35 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID47007628
Molecular FormulaC18H18F4N2O2
Molecular Weight370.35 g/mol
Exact Mass370.13
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)Cc1cccc(F)c1
InChIInChI=1S/C18H18F4N2O2/c1-12(24(2)11-13-4-3-5-14(19)10-13)17(25)23-15-6-8-16(9-7-15)26-18(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,25)
InChIKeyLXUJTQDPJITEBM-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
CID 17424193
2-[(3-fluorophenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787801
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370235
N-(2-methoxyphenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 46573624
(2S)-N-(4-acetylphenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]propanamide
CID 31390162
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
CID 8516208
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094165

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 47007628) is 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide is CC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is LXUJTQDPJITEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O2/c1-12(24(2)11-13-4-3-5-14(19)10-13)17(25)23-15-6-8-16(9-7-15)26-18(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,25).
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 370.35 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 47007628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).