N-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride

C15H19ClF6N2O3 — CID 120829439

IUPACN-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1.Cl
InChIInChI=1S/C15H18F6N2O3.ClH/c1-9(22-2)6-23-13(24)10-3-11(25-7-14(16,17)18)5-12(4-10)26-8-15(19,20)21;/h3-5,9,22H,6-8H2,1-2H3,(H,23,24);1H
InChIKeyBVQMOUMXRUQLJS-UHFFFAOYSA-N
MW424.77 g/mol
LogP3.33
Rot. Bonds8

About N-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride

N-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride (PubChem CID 120829439) has the molecular formula C15H19ClF6N2O3 and a molecular weight of 424.77 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride
PubChem CID120829439
Molecular FormulaC15H19ClF6N2O3
Molecular Weight424.77 g/mol
Exact Mass424.10
IUPAC NameN-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1.Cl
InChIInChI=1S/C15H18F6N2O3.ClH/c1-9(22-2)6-23-13(24)10-3-11(25-7-14(16,17)18)5-12(4-10)26-8-15(19,20)21;/h3-5,9,22H,6-8H2,1-2H3,(H,23,24);1H
InChIKeyBVQMOUMXRUQLJS-UHFFFAOYSA-N
XLogP3.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.77
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829740
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 120830158
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120833138
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
3-methoxy-N-[2-(methylamino)propyl]-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120829798
5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
CID 120829270
N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103512606
4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120826642

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride (CID 120829439) is N-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride is CNC(C)CNC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride?
The InChIKey is BVQMOUMXRUQLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F6N2O3.ClH/c1-9(22-2)6-23-13(24)10-3-11(25-7-14(16,17)18)5-12(4-10)26-8-15(19,20)21;/h3-5,9,22H,6-8H2,1-2H3,(H,23,24);1H.
What are the key properties of N-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride?
N-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride has a molecular weight of 424.77 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrochloride is sourced from PubChem (CID 120829439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).