N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C13H19ClF2N2O2 — CID 119689663

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C13H18F2N2O2.ClH/c1-9(7-16-2)12(18)17-8-10-3-5-11(6-4-10)19-13(14)15;/h3-6,9,13,16H,7-8H2,1-2H3,(H,17,18);1H
InChIKeyLTDWZHNISKJXLM-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.18
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119689663) has the molecular formula C13H19ClF2N2O2 and a molecular weight of 308.76 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119689663
Molecular FormulaC13H19ClF2N2O2
Molecular Weight308.76 g/mol
Exact Mass308.11
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C13H18F2N2O2.ClH/c1-9(7-16-2)12(18)17-8-10-3-5-11(6-4-10)19-13(14)15;/h3-6,9,13,16H,7-8H2,1-2H3,(H,17,18);1H
InChIKeyLTDWZHNISKJXLM-UHFFFAOYSA-N
XLogP2.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202218
(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide
CID 79012907
2-methyl-3-(methylamino)-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714366
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
N,N-dimethyl-4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide;hydrochloride
CID 119701723
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
CID 65229370
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119804487
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697509
(2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide
CID 103831064

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119689663) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NCc1ccc(OC(F)F)cc1.Cl.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is LTDWZHNISKJXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2.ClH/c1-9(7-16-2)12(18)17-8-10-3-5-11(6-4-10)19-13(14)15;/h3-6,9,13,16H,7-8H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 308.76 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119689663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).