3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride

C18H20ClF3N2O2 — CID 120608876

IUPAC3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C18H19F3N2O2.ClH/c1-23(17(24)11-8-14-4-2-3-5-16(14)22)12-13-6-9-15(10-7-13)25-18(19,20)21;/h2-7,9-10H,8,11-12,22H2,1H3;1H
InChIKeyLKHWLYIUFHSWPD-UHFFFAOYSA-N
MW388.82 g/mol
LogP4.18
Rot. Bonds6

About 3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride (PubChem CID 120608876) has the molecular formula C18H20ClF3N2O2 and a molecular weight of 388.82 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
PubChem CID120608876
Molecular FormulaC18H20ClF3N2O2
Molecular Weight388.82 g/mol
Exact Mass388.12
IUPAC Name3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C18H19F3N2O2.ClH/c1-23(17(24)11-8-14-4-2-3-5-16(14)22)12-13-6-9-15(10-7-13)25-18(19,20)21;/h2-7,9-10H,8,11-12,22H2,1H3;1H
InChIKeyLKHWLYIUFHSWPD-UHFFFAOYSA-N
XLogP4.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 107272887
3-(2-aminophenyl)-N-methyl-N-[(4-methylsulfinylphenyl)methyl]propanamide
CID 120611456
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 134003798
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
3-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpropanamide;hydrochloride
CID 120608250
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431
3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 38545493
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide;hydrochloride
CID 120608367
N-methyl-2-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 52570534
N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide
CID 56540605
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride (CID 120608876) is 3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is LKHWLYIUFHSWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2.ClH/c1-23(17(24)11-8-14-4-2-3-5-16(14)22)12-13-6-9-15(10-7-13)25-18(19,20)21;/h2-7,9-10H,8,11-12,22H2,1H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 388.82 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120608876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).