3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide

C10H11F3N2O2 — CID 103694228

IUPAC3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
SMILESNC(=O)CC(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)17-7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H2,15,16)
InChIKeyLMLVEIOTTRXWAM-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.46
Rot. Bonds4

About 3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide

3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 103694228) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
PubChem CID103694228
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
SMILESNC(=O)CC(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)17-7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H2,15,16)
InChIKeyLMLVEIOTTRXWAM-UHFFFAOYSA-N
XLogP1.46
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 53441902
methyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243091
ethyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171229816
(1R)-3-methyl-1-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 171210205
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709
3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 107105283
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047
[2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate
CID 175211548
3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide
CID 170876399
3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide
CID 170876128

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide (CID 103694228) is 3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide is NC(=O)CC(N)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is LMLVEIOTTRXWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)17-7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H2,15,16).
What are the key properties of 3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide?
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 248.20 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 103694228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).