2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride

C13H20Cl2F3N3O — CID 119893557

IUPAC2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
SMILESCCCNc1ccc(C(F)(F)F)cc1NC(=O)CNC.Cl.Cl
InChIInChI=1S/C13H18F3N3O.2ClH/c1-3-6-18-10-5-4-9(13(14,15)16)7-11(10)19-12(20)8-17-2;;/h4-5,7,17-18H,3,6,8H2,1-2H3,(H,19,20);2*1H
InChIKeyAEBMMNNAJLYDBC-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.53
Rot. Bonds6

About 2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride

2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride (PubChem CID 119893557) has the molecular formula C13H20Cl2F3N3O and a molecular weight of 362.22 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
PubChem CID119893557
Molecular FormulaC13H20Cl2F3N3O
Molecular Weight362.22 g/mol
Exact Mass361.09
IUPAC Name2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
SMILESCCCNc1ccc(C(F)(F)F)cc1NC(=O)CNC.Cl.Cl
InChIInChI=1S/C13H18F3N3O.2ClH/c1-3-6-18-10-5-4-9(13(14,15)16)7-11(10)19-12(20)8-17-2;;/h4-5,7,17-18H,3,6,8H2,1-2H3,(H,19,20);2*1H
InChIKeyAEBMMNNAJLYDBC-UHFFFAOYSA-N
XLogP3.53
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
CID 119893579
2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119893578
2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119290968
3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 119290966
4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide
CID 119290972
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119685367
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide
CID 63035996
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
N-[2,4-bis(trifluoromethyl)phenyl]butanamide
CID 90927396
4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 79192569
2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 78953142

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride (CID 119893557) is 2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride is CCCNc1ccc(C(F)(F)F)cc1NC(=O)CNC.Cl.Cl.
What is the InChIKey of 2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The InChIKey is AEBMMNNAJLYDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O.2ClH/c1-3-6-18-10-5-4-9(13(14,15)16)7-11(10)19-12(20)8-17-2;;/h4-5,7,17-18H,3,6,8H2,1-2H3,(H,19,20);2*1H.
What are the key properties of 2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride has a molecular weight of 362.22 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119893557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).