4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride

C13H18ClF3N2O2 — CID 119277655

IUPAC4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2.ClH/c14-13(15,16)9-20-11-5-3-10(4-6-11)8-18-12(19)2-1-7-17;/h3-6H,1-2,7-9,17H2,(H,18,19);1H
InChIKeyUSARNXHQYMPMAT-UHFFFAOYSA-N
MW326.75 g/mol
LogP2.40
Rot. Bonds7

About 4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride

4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119277655) has the molecular formula C13H18ClF3N2O2 and a molecular weight of 326.75 g/mol. Its IUPAC name is 4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
PubChem CID119277655
Molecular FormulaC13H18ClF3N2O2
Molecular Weight326.75 g/mol
Exact Mass326.10
IUPAC Name4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2.ClH/c14-13(15,16)9-20-11-5-3-10(4-6-11)8-18-12(19)2-1-7-17;/h3-6H,1-2,7-9,17H2,(H,18,19);1H
InChIKeyUSARNXHQYMPMAT-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119701626
4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
CID 119283185
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide
CID 119877301
4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 31165478
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60718885
7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride
CID 119689633
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride (CID 119277655) is 4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride is Cl.NCCCC(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is USARNXHQYMPMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2.ClH/c14-13(15,16)9-20-11-5-3-10(4-6-11)8-18-12(19)2-1-7-17;/h3-6H,1-2,7-9,17H2,(H,18,19);1H.
What are the key properties of 4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride?
4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 326.75 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119277655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).