N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C14H21ClF2N2O2 — CID 119716596

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)c1ccccc1OC(F)F.Cl
InChIInChI=1S/C14H20F2N2O2.ClH/c1-9(8-17-3)13(19)18-10(2)11-6-4-5-7-12(11)20-14(15)16;/h4-7,9-10,14,17H,8H2,1-3H3,(H,18,19);1H
InChIKeyIDXHWYAOSQKHSZ-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.74
Rot. Bonds7

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119716596) has the molecular formula C14H21ClF2N2O2 and a molecular weight of 322.78 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119716596
Molecular FormulaC14H21ClF2N2O2
Molecular Weight322.78 g/mol
Exact Mass322.13
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)c1ccccc1OC(F)F.Cl
InChIInChI=1S/C14H20F2N2O2.ClH/c1-9(8-17-3)13(19)18-10(2)11-6-4-5-7-12(11)20-14(15)16;/h4-7,9-10,14,17H,8H2,1-3H3,(H,18,19);1H
InChIKeyIDXHWYAOSQKHSZ-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 80543450
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide
CID 79813978
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpropanamide;hydrochloride
CID 119285570
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195760
3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949678
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119716606
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352797

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119716596) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NC(C)c1ccccc1OC(F)F.Cl.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is IDXHWYAOSQKHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2.ClH/c1-9(8-17-3)13(19)18-10(2)11-6-4-5-7-12(11)20-14(15)16;/h4-7,9-10,14,17H,8H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 322.78 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119716596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).