3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride

C15H20Cl2F2N4O — CID 120612493

IUPAC3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride
SMILESCN(Cc1nccn1C(F)F)C(=O)CCc1ccccc1N.Cl.Cl
InChIInChI=1S/C15H18F2N4O.2ClH/c1-20(10-13-19-8-9-21(13)15(16)17)14(22)7-6-11-4-2-3-5-12(11)18;;/h2-5,8-9,15H,6-7,10,18H2,1H3;2*1H
InChIKeyZHZCBDMSODEGGM-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.30
Rot. Bonds6

About 3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride

3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride (PubChem CID 120612493) has the molecular formula C15H20Cl2F2N4O and a molecular weight of 381.25 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride
PubChem CID120612493
Molecular FormulaC15H20Cl2F2N4O
Molecular Weight381.25 g/mol
Exact Mass380.10
IUPAC Name3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride
SMILESCN(Cc1nccn1C(F)F)C(=O)CCc1ccccc1N.Cl.Cl
InChIInChI=1S/C15H18F2N4O.2ClH/c1-20(10-13-19-8-9-21(13)15(16)17)14(22)7-6-11-4-2-3-5-12(11)18;;/h2-5,8-9,15H,6-7,10,18H2,1H3;2*1H
InChIKeyZHZCBDMSODEGGM-UHFFFAOYSA-N
XLogP3.30
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
CID 134044459
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide
CID 38341753
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 38343857
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
CID 86998907
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160
3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 107272887
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309211
5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide
CID 120643126
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]aniline
CID 43144094
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
3-(2-aminophenyl)-N-methyl-N-[(4-methylsulfinylphenyl)methyl]propanamide
CID 120611456

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride (CID 120612493) is 3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride is CN(Cc1nccn1C(F)F)C(=O)CCc1ccccc1N.Cl.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride?
The InChIKey is ZHZCBDMSODEGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O.2ClH/c1-20(10-13-19-8-9-21(13)15(16)17)14(22)7-6-11-4-2-3-5-12(11)18;;/h2-5,8-9,15H,6-7,10,18H2,1H3;2*1H.
What are the key properties of 3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride?
3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride has a molecular weight of 381.25 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride is sourced from PubChem (CID 120612493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).