3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride

C18H21ClF2N2O — CID 119951050

IUPAC3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride
SMILESCCN(Cc1c(F)cccc1F)C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C18H20F2N2O.ClH/c1-2-22(12-14-15(19)9-6-10-16(14)20)18(23)11-17(21)13-7-4-3-5-8-13;/h3-10,17H,2,11-12,21H2,1H3;1H
InChIKeyMNYIWUFJDHYDOW-UHFFFAOYSA-N
MW354.83 g/mol
LogP3.83
Rot. Bonds6

About 3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride

3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride (PubChem CID 119951050) has the molecular formula C18H21ClF2N2O and a molecular weight of 354.83 g/mol. Its IUPAC name is 3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride
PubChem CID119951050
Molecular FormulaC18H21ClF2N2O
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride
SMILESCCN(Cc1c(F)cccc1F)C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C18H20F2N2O.ClH/c1-2-22(12-14-15(19)9-6-10-16(14)20)18(23)11-17(21)13-7-4-3-5-8-13;/h3-10,17H,2,11-12,21H2,1H3;1H
InChIKeyMNYIWUFJDHYDOW-UHFFFAOYSA-N
XLogP3.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride
CID 120562001
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
CID 43579107
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride
CID 119952064
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409
(2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 119767637
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
CID 66567844
3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950260
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 119950245
3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950674
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride (CID 119951050) is 3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride is CCN(Cc1c(F)cccc1F)C(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride?
The InChIKey is MNYIWUFJDHYDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O.ClH/c1-2-22(12-14-15(19)9-6-10-16(14)20)18(23)11-17(21)13-7-4-3-5-8-13;/h3-10,17H,2,11-12,21H2,1H3;1H.
What are the key properties of 3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride has a molecular weight of 354.83 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).