N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide

C14H17F3N2O — CID 102873897

IUPACN-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
SMILESNCCCN(C(=O)c1c(F)cc(F)cc1F)C1CCC1
InChIInChI=1S/C14H17F3N2O/c15-9-7-11(16)13(12(17)8-9)14(20)19(6-2-5-18)10-3-1-4-10/h7-8,10H,1-6,18H2
InChIKeyRAYBTYQNACNWJT-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.45
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide

N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide (PubChem CID 102873897) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
PubChem CID102873897
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
SMILESNCCCN(C(=O)c1c(F)cc(F)cc1F)C1CCC1
InChIInChI=1S/C14H17F3N2O/c15-9-7-11(16)13(12(17)8-9)14(20)19(6-2-5-18)10-3-1-4-10/h7-8,10H,1-6,18H2
InChIKeyRAYBTYQNACNWJT-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
CID 102874150
N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide
CID 43607904
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,4,6-trifluorobenzamide
CID 65098586
N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
CID 43319342
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2,4,6-trifluorobenzamide
CID 65099020
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-cycloheptyl-3-fluorobenzamide
CID 43319433
N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide
CID 107012747
N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65101704
N-(3-aminopropyl)-N-cycloheptyl-4-hydroxybenzamide
CID 43136887
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide (CID 102873897) is N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide is NCCCN(C(=O)c1c(F)cc(F)cc1F)C1CCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide?
The InChIKey is RAYBTYQNACNWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-9-7-11(16)13(12(17)8-9)14(20)19(6-2-5-18)10-3-1-4-10/h7-8,10H,1-6,18H2.
What are the key properties of N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide?
N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide has a molecular weight of 286.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide is sourced from PubChem (CID 102873897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).