2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride

C11H14ClF3N2O — CID 120827825

IUPAC2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(F)c(F)c1F.Cl
InChIInChI=1S/C11H13F3N2O.ClH/c1-6(15-2)5-16-11(17)7-3-4-8(12)10(14)9(7)13;/h3-4,6,15H,5H2,1-2H3,(H,16,17);1H
InChIKeyXIWGFOVFMOGPPR-UHFFFAOYSA-N
MW282.69 g/mol
LogP1.86
Rot. Bonds4

About 2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride

2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 120827825) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
PubChem CID120827825
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(F)c(F)c1F.Cl
InChIInChI=1S/C11H13F3N2O.ClH/c1-6(15-2)5-16-11(17)7-3-4-8(12)10(14)9(7)13;/h3-4,6,15H,5H2,1-2H3,(H,16,17);1H
InChIKeyXIWGFOVFMOGPPR-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
CID 120827060
2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 120831181
2-[[(2,3,4-trifluorobenzoyl)amino]methyl]butanoic acid
CID 79749423
4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide
CID 120827537
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
CID 91645374
5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684
N-(4-chloropentyl)-2,3,4-trifluorobenzamide
CID 106129404
2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376547
2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120831286

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride (CID 120827825) is 2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride is CNC(C)CNC(=O)c1ccc(F)c(F)c1F.Cl.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is XIWGFOVFMOGPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O.ClH/c1-6(15-2)5-16-11(17)7-3-4-8(12)10(14)9(7)13;/h3-4,6,15H,5H2,1-2H3,(H,16,17);1H.
What are the key properties of 2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride?
2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 282.69 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120827825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).