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

C18H29FN2O — CID 143916067

IUPACethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide
SMILESCCC1CC1.CNCCC(C)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O.C5H10/c1-10(7-8-15-2)9-16-13(17)11-3-5-12(14)6-4-11;1-2-5-3-4-5/h3-6,10,15H,7-9H2,1-2H3,(H,16,17);5H,2-4H2,1H3
InChIKeyFTGDXOVNUJEOFR-UHFFFAOYSA-N
MW308.44 g/mol
LogP3.61
Rot. Bonds7

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

ethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide (PubChem CID 143916067) has the molecular formula C18H29FN2O and a molecular weight of 308.44 g/mol. Its IUPAC name is ethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide.

Molecular Properties

Compound Nameethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide
PubChem CID143916067
Molecular FormulaC18H29FN2O
Molecular Weight308.44 g/mol
Exact Mass308.23
IUPAC Nameethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide
SMILESCCC1CC1.CNCCC(C)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O.C5H10/c1-10(7-8-15-2)9-16-13(17)11-3-5-12(14)6-4-11;1-2-5-3-4-5/h3-6,10,15H,7-9H2,1-2H3,(H,16,17);5H,2-4H2,1H3
InChIKeyFTGDXOVNUJEOFR-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide
CID 143916068
N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide
CID 2225924
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
(2-fluoro-3-methyl-4-pyridinyl) 4-[4-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372835
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81479378
N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 40789873
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
4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 17426344

Frequently Asked Questions

What is the IUPAC name of ethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide?
The IUPAC name of ethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide (CID 143916067) is ethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide.
What is the SMILES notation for ethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide?
The canonical SMILES for ethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide is CCC1CC1.CNCCC(C)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of ethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide?
The InChIKey is FTGDXOVNUJEOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O.C5H10/c1-10(7-8-15-2)9-16-13(17)11-3-5-12(14)6-4-11;1-2-5-3-4-5/h3-6,10,15H,7-9H2,1-2H3,(H,16,17);5H,2-4H2,1H3.
What are the key properties of ethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide?
ethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide has a molecular weight of 308.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide is sourced from PubChem (CID 143916067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).