N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride

C18H19ClF4N2O — CID 119504852

IUPACN-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H18F4N2O.ClH/c1-2-23-8-9-24-17(25)16-11-14(19)6-7-15(16)12-4-3-5-13(10-12)18(20,21)22;/h3-7,10-11,23H,2,8-9H2,1H3,(H,24,25);1H
InChIKeyFRJVDHDQRFSTCG-UHFFFAOYSA-N
MW390.81 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride

N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride (PubChem CID 119504852) has the molecular formula C18H19ClF4N2O and a molecular weight of 390.81 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
PubChem CID119504852
Molecular FormulaC18H19ClF4N2O
Molecular Weight390.81 g/mol
Exact Mass390.11
IUPAC NameN-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H18F4N2O.ClH/c1-2-23-8-9-24-17(25)16-11-14(19)6-7-15(16)12-4-3-5-13(10-12)18(20,21)22;/h3-7,10-11,23H,2,8-9H2,1H3,(H,24,25);1H
InChIKeyFRJVDHDQRFSTCG-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.81
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 119429718
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 120943802
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide
CID 112834460
5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide
CID 112834568
2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119507213
N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 119509675
5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 166180357
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]methanone;hydrochloride
CID 120658295
N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 105408643
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]methanone;hydrochloride
CID 120810092
N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
CID 134803671

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride (CID 119504852) is N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride is CCNCCNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride?
The InChIKey is FRJVDHDQRFSTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O.ClH/c1-2-23-8-9-24-17(25)16-11-14(19)6-7-15(16)12-4-3-5-13(10-12)18(20,21)22;/h3-7,10-11,23H,2,8-9H2,1H3,(H,24,25);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride has a molecular weight of 390.81 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119504852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).