N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide

C13H15F5N2O — CID 63754248

IUPACN-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide
SMILESCCCCN(CCN)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F5N2O/c1-2-3-5-20(6-4-19)13(21)7-8(14)10(16)12(18)11(17)9(7)15/h2-6,19H2,1H3
InChIKeyFPOYOKAHCQGMJA-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.58
Rot. Bonds6

About N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide

N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide (PubChem CID 63754248) has the molecular formula C13H15F5N2O and a molecular weight of 310.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide
PubChem CID63754248
Molecular FormulaC13H15F5N2O
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC NameN-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide
SMILESCCCCN(CCN)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F5N2O/c1-2-3-5-20(6-4-19)13(21)7-8(14)10(16)12(18)11(17)9(7)15/h2-6,19H2,1H3
InChIKeyFPOYOKAHCQGMJA-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520
2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide
CID 91731924
2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide
CID 91732053
N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide
CID 102922881
butan-1-amine;3,4,5,6-tetrafluorophthalic acid
CID 88512457
N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide
CID 60722923
N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide
CID 102885358
N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
CID 63755874
N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide
CID 66120244
N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide
CID 63754246
N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide
CID 63756056
N-(2-aminoethyl)-N-butylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103123033

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide (CID 63754248) is N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide is CCCCN(CCN)C(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is FPOYOKAHCQGMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2O/c1-2-3-5-20(6-4-19)13(21)7-8(14)10(16)12(18)11(17)9(7)15/h2-6,19H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide?
N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 310.27 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 63754248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).