2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride

C19H26Cl2FN3O — CID 120669334

IUPAC2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCC(c2cccc(F)c2)N(C)C)cc1.Cl.Cl
InChIInChI=1S/C19H24FN3O.2ClH/c1-13-7-9-14(10-8-13)18(21)19(24)22-12-17(23(2)3)15-5-4-6-16(20)11-15;;/h4-11,17-18H,12,21H2,1-3H3,(H,22,24);2*1H
InChIKeyJRLKGUXFTKHERG-UHFFFAOYSA-N
MW402.34 g/mol
LogP3.40
Rot. Bonds6

About 2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride

2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride (PubChem CID 120669334) has the molecular formula C19H26Cl2FN3O and a molecular weight of 402.34 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
PubChem CID120669334
Molecular FormulaC19H26Cl2FN3O
Molecular Weight402.34 g/mol
Exact Mass401.14
IUPAC Name2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCC(c2cccc(F)c2)N(C)C)cc1.Cl.Cl
InChIInChI=1S/C19H24FN3O.2ClH/c1-13-7-9-14(10-8-13)18(21)19(24)22-12-17(23(2)3)15-5-4-6-16(20)11-15;;/h4-11,17-18H,12,21H2,1-3H3,(H,22,24);2*1H
InChIKeyJRLKGUXFTKHERG-UHFFFAOYSA-N
XLogP3.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide
CID 30526386
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55450440
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
CID 43020482
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide
CID 106312263
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 42907156
N-[1-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 43046953
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride (CID 120669334) is 2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NCC(c2cccc(F)c2)N(C)C)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The InChIKey is JRLKGUXFTKHERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O.2ClH/c1-13-7-9-14(10-8-13)18(21)19(24)22-12-17(23(2)3)15-5-4-6-16(20)11-15;;/h4-11,17-18H,12,21H2,1-3H3,(H,22,24);2*1H.
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride has a molecular weight of 402.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120669334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).