3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride

C18H21ClF2N2O2 — CID 119681798

IUPAC3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)C(CN)c1ccccc1.Cl
InChIInChI=1S/C18H20F2N2O2.ClH/c1-22(12-13-7-9-15(10-8-13)24-18(19)20)17(23)16(11-21)14-5-3-2-4-6-14;/h2-10,16,18H,11-12,21H2,1H3;1H
InChIKeyITOSPWHAYCJCEB-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.41
Rot. Bonds7

About 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride

3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride (PubChem CID 119681798) has the molecular formula C18H21ClF2N2O2 and a molecular weight of 370.83 g/mol. Its IUPAC name is 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride
PubChem CID119681798
Molecular FormulaC18H21ClF2N2O2
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC Name3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)C(CN)c1ccccc1.Cl
InChIInChI=1S/C18H20F2N2O2.ClH/c1-22(12-13-7-9-15(10-8-13)24-18(19)20)17(23)16(11-21)14-5-3-2-4-6-14;/h2-10,16,18H,11-12,21H2,1H3;1H
InChIKeyITOSPWHAYCJCEB-UHFFFAOYSA-N
XLogP3.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 55359274
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide
CID 60938031
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 62855560
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 62878721
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 55575443
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55313057

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride (CID 119681798) is 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride is CN(Cc1ccc(OC(F)F)cc1)C(=O)C(CN)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride?
The InChIKey is ITOSPWHAYCJCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2.ClH/c1-22(12-13-7-9-15(10-8-13)24-18(19)20)17(23)16(11-21)14-5-3-2-4-6-14;/h2-10,16,18H,11-12,21H2,1H3;1H.
What are the key properties of 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride?
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride has a molecular weight of 370.83 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119681798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).