N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide

C13H16F4N2O — CID 107644485

IUPACN-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H16F4N2O/c1-6(2)5-18-13(20)7(3)19-12-10(16)8(14)4-9(15)11(12)17/h4,6-7,19H,5H2,1-3H3,(H,18,20)
InChIKeyRRFJJPZOHYYBEA-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.82
Rot. Bonds5

About N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide

N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide (PubChem CID 107644485) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
PubChem CID107644485
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC NameN-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H16F4N2O/c1-6(2)5-18-13(20)7(3)19-12-10(16)8(14)4-9(15)11(12)17/h4,6-7,19H,5H2,1-3H3,(H,18,20)
InChIKeyRRFJJPZOHYYBEA-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644351
N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
CID 55118207
2-(2,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43088760
2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43347738
N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644238
(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide
CID 107641670
2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide
CID 113424250
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175
2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide
CID 107635388
N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide
CID 43088640
N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106972989
N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60704100

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide?
The IUPAC name of N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide (CID 107644485) is N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide is CC(C)CNC(=O)C(C)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide?
The InChIKey is RRFJJPZOHYYBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-6(2)5-18-13(20)7(3)19-12-10(16)8(14)4-9(15)11(12)17/h4,6-7,19H,5H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide?
N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide has a molecular weight of 292.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide is sourced from PubChem (CID 107644485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).