3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride

C12H16ClF3N2O2 — CID 119288366

IUPAC3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2.ClH/c13-12(14,15)19-10-3-1-9(2-4-10)6-8-17-11(18)5-7-16;/h1-4H,5-8,16H2,(H,17,18);1H
InChIKeySYIFGESPAZYOIU-UHFFFAOYSA-N
MW312.72 g/mol
LogP2.01
Rot. Bonds6

About 3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride

3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride (PubChem CID 119288366) has the molecular formula C12H16ClF3N2O2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
PubChem CID119288366
Molecular FormulaC12H16ClF3N2O2
Molecular Weight312.72 g/mol
Exact Mass312.09
IUPAC Name3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2.ClH/c13-12(14,15)19-10-3-1-9(2-4-10)6-8-17-11(18)5-7-16;/h1-4H,5-8,16H2,(H,17,18);1H
InChIKeySYIFGESPAZYOIU-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119177395
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
CID 119284641
2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide
CID 47043798
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288372
N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride
CID 120604454
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119529030
2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119721542
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 120771688
N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide
CID 87000141
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111090959
3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309735
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride (CID 119288366) is 3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride is Cl.NCCC(=O)NCCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride?
The InChIKey is SYIFGESPAZYOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2.ClH/c13-12(14,15)19-10-3-1-9(2-4-10)6-8-17-11(18)5-7-16;/h1-4H,5-8,16H2,(H,17,18);1H.
What are the key properties of 3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride?
3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride has a molecular weight of 312.72 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119288366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).