4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide

C13H19FN2O — CID 143916068

IUPAC4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide
SMILESCNCCC(C)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-10(7-8-15-2)9-16-13(17)11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyPDDAOCJVWSPXQC-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.80
Rot. Bonds6

About 4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide

4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide (PubChem CID 143916068) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide
PubChem CID143916068
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide
SMILESCNCCC(C)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-10(7-8-15-2)9-16-13(17)11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyPDDAOCJVWSPXQC-UHFFFAOYSA-N
XLogP1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide
CID 143916067
N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide
CID 2225924
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81479378
N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide
CID 123280491
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
3,4-difluoro-N-[(2R)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325195
3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325194
4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 17426344
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-(4-amino-2-methylbutyl)-4-hydroxybenzamide
CID 66089978
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide (CID 143916068) is 4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide is CNCCC(C)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide?
The InChIKey is PDDAOCJVWSPXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(7-8-15-2)9-16-13(17)11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide?
4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide has a molecular weight of 238.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide is sourced from PubChem (CID 143916068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).