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

C12H15F3N2O — CID 65101704

IUPACN-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
SMILESCCN(CCCN)C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-2-17(5-3-4-16)12(18)11-9(14)6-8(13)7-10(11)15/h6-7H,2-5,16H2,1H3
InChIKeyHSDPKDLVAUFCGN-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.91
Rot. Bonds5

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

N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide (PubChem CID 65101704) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
PubChem CID65101704
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
SMILESCCN(CCCN)C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-2-17(5-3-4-16)12(18)11-9(14)6-8(13)7-10(11)15/h6-7H,2-5,16H2,1H3
InChIKeyHSDPKDLVAUFCGN-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide
CID 60599171
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
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N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
CID 43136499
N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
CID 102873897
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65098968
N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
CID 65434746
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 77056008
N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 113281479
2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202076
N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide
CID 43136548
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
N-(3-aminopropyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 43136432

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide?
The IUPAC name of N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide (CID 65101704) is N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide is CCN(CCCN)C(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide?
The InChIKey is HSDPKDLVAUFCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-17(5-3-4-16)12(18)11-9(14)6-8(13)7-10(11)15/h6-7H,2-5,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide?
N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide has a molecular weight of 260.26 g/mol, XLogP of 1.91, 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-ethyl-2,4,6-trifluorobenzamide is sourced from PubChem (CID 65101704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).