2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride

C19H23ClF2N2O3 — CID 120669116

IUPAC2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)C(N)c2ccc(C)cc2)c1OC(F)F.Cl
InChIInChI=1S/C19H22F2N2O3.ClH/c1-3-25-15-6-4-5-14(17(15)26-19(20)21)11-23-18(24)16(22)13-9-7-12(2)8-10-13;/h4-10,16,19H,3,11,22H2,1-2H3,(H,23,24);1H
InChIKeyIVAFARUHFBDCSJ-UHFFFAOYSA-N
MW400.85 g/mol
LogP3.73
Rot. Bonds8

About 2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride

2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 120669116) has the molecular formula C19H23ClF2N2O3 and a molecular weight of 400.85 g/mol. Its IUPAC name is 2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
PubChem CID120669116
Molecular FormulaC19H23ClF2N2O3
Molecular Weight400.85 g/mol
Exact Mass400.14
IUPAC Name2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)C(N)c2ccc(C)cc2)c1OC(F)F.Cl
InChIInChI=1S/C19H22F2N2O3.ClH/c1-3-25-15-6-4-5-14(17(15)26-19(20)21)11-23-18(24)16(22)13-9-7-12(2)8-10-13;/h4-10,16,19H,3,11,22H2,1-2H3,(H,23,24);1H
InChIKeyIVAFARUHFBDCSJ-UHFFFAOYSA-N
XLogP3.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119816495
2-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120668248
2-amino-2-(4-methylphenyl)-N-[[2-(2-methylpropoxy)phenyl]methyl]acetamide
CID 120667659
4-(aminomethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120936762
4-[[[2-(difluoromethoxy)-3-ethoxyphenyl]methylcarbamoylamino]methyl]benzoic acid
CID 122006031
1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine
CID 75469869
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668407
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine
CID 133404217
2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120638211
2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669936
2-amino-N-[2-(2-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667716
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119816481

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride (CID 120669116) is 2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride is CCOc1cccc(CNC(=O)C(N)c2ccc(C)cc2)c1OC(F)F.Cl.
What is the InChIKey of 2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is IVAFARUHFBDCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3.ClH/c1-3-25-15-6-4-5-14(17(15)26-19(20)21)11-23-18(24)16(22)13-9-7-12(2)8-10-13;/h4-10,16,19H,3,11,22H2,1-2H3,(H,23,24);1H.
What are the key properties of 2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride?
2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 400.85 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120669116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).