N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride

C19H22ClF3N2O — CID 119439753

IUPACN-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CC(c1ccccc1)C(F)(F)F.Cl
InChIInChI=1S/C19H21F3N2O.ClH/c1-2-23-13-15-10-6-7-11-17(15)24-18(25)12-16(19(20,21)22)14-8-4-3-5-9-14;/h3-11,16,23H,2,12-13H2,1H3,(H,24,25);1H
InChIKeyIHYMXFFIBZKKQR-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.89
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride (PubChem CID 119439753) has the molecular formula C19H22ClF3N2O and a molecular weight of 386.85 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
PubChem CID119439753
Molecular FormulaC19H22ClF3N2O
Molecular Weight386.85 g/mol
Exact Mass386.14
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CC(c1ccccc1)C(F)(F)F.Cl
InChIInChI=1S/C19H21F3N2O.ClH/c1-2-23-13-15-10-6-7-11-17(15)24-18(25)12-16(19(20,21)22)14-8-4-3-5-9-14;/h3-11,16,23H,2,12-13H2,1H3,(H,24,25);1H
InChIKeyIHYMXFFIBZKKQR-UHFFFAOYSA-N
XLogP4.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide
CID 119438867
N-[2-(ethylaminomethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 43809215
N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride
CID 119440333
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119440375
2-(2,3-difluorophenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 84586354
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119439167
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119440376
N-[2-(ethylaminomethyl)phenyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119439213
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 119440695
2-[2-(difluoromethoxy)phenyl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439694

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride (CID 119439753) is N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride is CCNCc1ccccc1NC(=O)CC(c1ccccc1)C(F)(F)F.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride?
The InChIKey is IHYMXFFIBZKKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O.ClH/c1-2-23-13-15-10-6-7-11-17(15)24-18(25)12-16(19(20,21)22)14-8-4-3-5-9-14;/h3-11,16,23H,2,12-13H2,1H3,(H,24,25);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride has a molecular weight of 386.85 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119439753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).