2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride

C12H15ClF4N2O — CID 120831181

IUPAC2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc(C(F)(F)F)c1F.Cl
InChIInChI=1S/C12H14F4N2O.ClH/c1-7(17-2)6-18-11(19)8-4-3-5-9(10(8)13)12(14,15)16;/h3-5,7,17H,6H2,1-2H3,(H,18,19);1H
InChIKeyYYWRQBGTSJQYLF-UHFFFAOYSA-N
MW314.71 g/mol
LogP2.60
Rot. Bonds4

About 2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride

2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 120831181) has the molecular formula C12H15ClF4N2O and a molecular weight of 314.71 g/mol. Its IUPAC name is 2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
PubChem CID120831181
Molecular FormulaC12H15ClF4N2O
Molecular Weight314.71 g/mol
Exact Mass314.08
IUPAC Name2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc(C(F)(F)F)c1F.Cl
InChIInChI=1S/C12H14F4N2O.ClH/c1-7(17-2)6-18-11(19)8-4-3-5-9(10(8)13)12(14,15)16;/h3-5,7,17H,6H2,1-2H3,(H,18,19);1H
InChIKeyYYWRQBGTSJQYLF-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.71
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
2-fluoro-N-(2-methylsulfinylpropyl)-3-(trifluoromethyl)benzamide
CID 115764438
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827825
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide
CID 102685069
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 71976318
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 103738888

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride (CID 120831181) is 2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride is CNC(C)CNC(=O)c1cccc(C(F)(F)F)c1F.Cl.
What is the InChIKey of 2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is YYWRQBGTSJQYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O.ClH/c1-7(17-2)6-18-11(19)8-4-3-5-9(10(8)13)12(14,15)16;/h3-5,7,17H,6H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride?
2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 314.71 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 120831181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).