3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide

C13H15F5N2O — CID 115564477

IUPAC3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F5N2O/c1-13(2,3)19-5-4-6(21)20-12-10(17)8(15)7(14)9(16)11(12)18/h19H,4-5H2,1-3H3,(H,20,21)
InChIKeyRLXRWADSIXHRRE-UHFFFAOYSA-N
MW310.27 g/mol
LogP3.10
Rot. Bonds4

About 3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide

3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide (PubChem CID 115564477) has the molecular formula C13H15F5N2O and a molecular weight of 310.27 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
PubChem CID115564477
Molecular FormulaC13H15F5N2O
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F5N2O/c1-13(2,3)19-5-4-6(21)20-12-10(17)8(15)7(14)9(16)11(12)18/h19H,4-5H2,1-3H3,(H,20,21)
InChIKeyRLXRWADSIXHRRE-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 53.10
H-Bond Donors ≤ 52
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-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide
CID 54928578
N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide
CID 54928480
3-(tert-butylamino)-N-(2-fluoro-6-nitrophenyl)propanamide
CID 81311088
N-(2,3,4,5,6-pentafluorophenyl)undecanamide
CID 3554716
N-(5-bromo-2-fluorophenyl)-3-(tert-butylamino)propanamide
CID 60850786
3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 61229798
3-(tert-butylamino)-N-thiophen-3-ylpropanamide
CID 66351972
methyl 5-[3-(tert-butylamino)propanoylamino]-2-fluorobenzoate
CID 60849582
N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide
CID 115564289
3-(tert-butylamino)-N-(1H-pyrazol-5-yl)propanamide
CID 61394138
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433
N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
CID 64556718

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide (CID 115564477) is 3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide is CC(C)(C)NCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The InChIKey is RLXRWADSIXHRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2O/c1-13(2,3)19-5-4-6(21)20-12-10(17)8(15)7(14)9(16)11(12)18/h19H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide has a molecular weight of 310.27 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide is sourced from PubChem (CID 115564477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).