3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide

C18H18F4N2O2 — CID 119702544

IUPAC3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)Nc1cc(F)ccc1OCC(F)(F)F)C(N)c1ccccc1
InChIInChI=1S/C18H18F4N2O2/c1-11(16(23)12-5-3-2-4-6-12)17(25)24-14-9-13(19)7-8-15(14)26-10-18(20,21)22/h2-9,11,16H,10,23H2,1H3,(H,24,25)
InChIKeyWHJBAMWYQDNENL-UHFFFAOYSA-N
MW370.35 g/mol
LogP4.04
Rot. Bonds6

About 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide

3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide (PubChem CID 119702544) has the molecular formula C18H18F4N2O2 and a molecular weight of 370.35 g/mol. Its IUPAC name is 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide
PubChem CID119702544
Molecular FormulaC18H18F4N2O2
Molecular Weight370.35 g/mol
Exact Mass370.13
IUPAC Name3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)Nc1cc(F)ccc1OCC(F)(F)F)C(N)c1ccccc1
InChIInChI=1S/C18H18F4N2O2/c1-11(16(23)12-5-3-2-4-6-12)17(25)24-14-9-13(19)7-8-15(14)26-10-18(20,21)22/h2-9,11,16H,10,23H2,1H3,(H,24,25)
InChIKeyWHJBAMWYQDNENL-UHFFFAOYSA-N
XLogP4.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 119700402
benzyl N-[1-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-1-oxopropan-2-yl]carbamate
CID 42942177
4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120559676
3-amino-N-(2-ethoxy-5-methoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119774050
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 24656372
3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119674271
2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112685720
3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119712578
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722
1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 71975002
3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide
CID 119399129
(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119315205

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide (CID 119702544) is 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide is CC(C(=O)Nc1cc(F)ccc1OCC(F)(F)F)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide?
The InChIKey is WHJBAMWYQDNENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O2/c1-11(16(23)12-5-3-2-4-6-12)17(25)24-14-9-13(19)7-8-15(14)26-10-18(20,21)22/h2-9,11,16H,10,23H2,1H3,(H,24,25).
What are the key properties of 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide has a molecular weight of 370.35 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119702544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).