N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide

C13H14F4N2O — CID 63251637

IUPACN-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide
SMILESNC1CCCC1NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F4N2O/c14-9-5-4-7(6-8(9)13(15,16)17)12(20)19-11-3-1-2-10(11)18/h4-6,10-11H,1-3,18H2,(H,19,20)
InChIKeyXEZUOXIMOJDMHG-UHFFFAOYSA-N
MW290.26 g/mol
LogP2.45
Rot. Bonds2

About N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide

N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 63251637) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID63251637
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC NameN-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide
SMILESNC1CCCC1NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F4N2O/c14-9-5-4-7(6-8(9)13(15,16)17)12(20)19-11-3-1-2-10(11)18/h4-6,10-11H,1-3,18H2,(H,19,20)
InChIKeyXEZUOXIMOJDMHG-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 119611820
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
CID 114024825
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
N-(2-aminocycloheptyl)-4-chlorobenzamide
CID 63258248
N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide
CID 63258010
N-(2-aminocyclopentyl)-3-chloro-4-hydroxybenzamide
CID 63251551
N-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63251687
N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide
CID 81295465
3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide
CID 146047094
N-(2-aminocyclopentyl)-2,4-difluorobenzamide
CID 55169899
N-(2-aminocyclopropyl)-3,4-difluorobenzamide
CID 43593845

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide (CID 63251637) is N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide is NC1CCCC1NC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is XEZUOXIMOJDMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-9-5-4-7(6-8(9)13(15,16)17)12(20)19-11-3-1-2-10(11)18/h4-6,10-11H,1-3,18H2,(H,19,20).
What are the key properties of N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide?
N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 290.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 63251637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).