N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide

C13H15F3N2O — CID 102874150

IUPACN-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
SMILESNCCN(C(=O)c1c(F)cc(F)cc1F)C1CCC1
InChIInChI=1S/C13H15F3N2O/c14-8-6-10(15)12(11(16)7-8)13(19)18(5-4-17)9-2-1-3-9/h6-7,9H,1-5,17H2
InChIKeyHLBTZOGPTUSSRB-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.06
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide

N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide (PubChem CID 102874150) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
PubChem CID102874150
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
SMILESNCCN(C(=O)c1c(F)cc(F)cc1F)C1CCC1
InChIInChI=1S/C13H15F3N2O/c14-8-6-10(15)12(11(16)7-8)13(19)18(5-4-17)9-2-1-3-9/h6-7,9H,1-5,17H2
InChIKeyHLBTZOGPTUSSRB-UHFFFAOYSA-N
XLogP2.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
CID 102873897
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,4,6-trifluorobenzamide
CID 65098586
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2,4,6-trifluorobenzamide
CID 65099020
N-(2-aminoethyl)-N-cyclobutyl-2-(2,4-difluorophenyl)acetamide
CID 102874077
N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide
CID 63755708
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide
CID 102874463
N-(2-aminoethyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754373
N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
CID 63754982
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379
N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide
CID 43607904

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide (CID 102874150) is N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide is NCCN(C(=O)c1c(F)cc(F)cc1F)C1CCC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide?
The InChIKey is HLBTZOGPTUSSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-8-6-10(15)12(11(16)7-8)13(19)18(5-4-17)9-2-1-3-9/h6-7,9H,1-5,17H2.
What are the key properties of N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide?
N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide has a molecular weight of 272.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide is sourced from PubChem (CID 102874150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).