N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide

C13H15F3N2O — CID 79749551

IUPACN-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
SMILESNCC1CCCC1NC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H15F3N2O/c14-9-5-4-8(11(15)12(9)16)13(19)18-10-3-1-2-7(10)6-17/h4-5,7,10H,1-3,6,17H2,(H,18,19)
InChIKeyDHYFAGIYAKRVAF-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.96
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide

N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide (PubChem CID 79749551) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
PubChem CID79749551
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
SMILESNCC1CCCC1NC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H15F3N2O/c14-9-5-4-8(11(15)12(9)16)13(19)18-10-3-1-2-7(10)6-17/h4-5,7,10H,1-3,6,17H2,(H,18,19)
InChIKeyDHYFAGIYAKRVAF-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.96
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

N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide
CID 119603606
N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide
CID 82816320
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 119611281
N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide
CID 79760259
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119604124
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzamide;hydrochloride
CID 119601070
N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride
CID 119601035
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide
CID 103807257
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide (CID 79749551) is N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide is NCC1CCCC1NC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide?
The InChIKey is DHYFAGIYAKRVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-9-5-4-8(11(15)12(9)16)13(19)18-10-3-1-2-7(10)6-17/h4-5,7,10H,1-3,6,17H2,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide?
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide has a molecular weight of 272.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 79749551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).